Sugi Predict

Sugi Predict / Compounds / SCHEMBL2023656

SCHEMBL2023656

SCHEMBL2023656

CC(C)(C)P(c1ccc2ccccc2c1-c1c(P(C(C)(C)C)C(C)(C)C)ccc2ccccc12)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ CYP2A6 P11509 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HPRT1 P00492 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ DNMT1 P26358 1/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30222010 1.00 MAPT (0.42) MAPTCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL202312 0.88 DHFR (0.40) MAPTCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL29376410 0.88 DHFR (0.40) MAPTCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL3656667 0.88 DHFR (0.40) MAPTCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL227099 0.87 MAPT (0.34) MAPTCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL2017985 0.87 MAPT (0.67) MAPTALDH1A1HPGDRAB9ANQO2
SCHEMBL30170935 0.87 MAPT (0.34) MAPTCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL29511657 0.87 MAPT (0.67) MAPTALDH1A1HPGDRAB9ANQO2
SCHEMBL28450466 0.84 MAPT (0.33) MAPTCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL29583072 0.83 MAPT (0.47) MAPTTDP1CYP1A2L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025058074-A1 POLYCYCLIC AROMATIC COMPOUND, OPTICAL MATERIAL, OPTICAL ELEMENT, AND OPTICAL APPARATUS JNC株式会社 2025-03-20 — — WO disclosed
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-11-07 — — US disclosed
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 — — US disclosed
US-20210395274-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-12-23 — — US disclosed
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-10-05 — — US disclosed
US-10689402-B2 Polycyclic aromatic compound and light emission layer-forming composition JNC CORPORATION (JP) 2020-06-23 — — US disclosed
US-20200190116-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-06-18 — — US disclosed
US-20190214575-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2019-07-11 — — US disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 — — US disclosed
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-04-05 — — US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 — — US disclosed
EP-1640430-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-03-29 — — EP disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 — — US disclosed
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-01-19 — — US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 — — EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 — — US disclosed
EP-1035114-B1 Processes for the preparation of nitrogen-heterocyclic compounds TOSOH CORP (JP) 2004-11-24 — — EP disclosed
US-6346621-B1 INDOLE OR QUINOLINE COMPOUNDS SUBSTITUTED WITH AMINO COMPOUNDS ON NITROGEN TOSOH CORPORATION (JP) 2002-02-12 — — US disclosed
EP-1035114-A2 Nitrogen-heterocyclic compounds and process for production thereof TOSOH CORPORATION (JP) 2000-09-13 — — EP disclosed
US-5686616-A Process for preparing an optically active amine TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-11-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT MAPT 1533/4885CYP2A6 1130/4885ALDH1A1 2068/4885
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition ARNT, TYR, NLRP3 MAPT 25/4885CYP2A6 848/4885ALDH1A1 2119/4885
US-20200190116-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION TYR, NOD2, AHR MAPT 240/4885CYP2A6 701/4885ALDH1A1 2965/4885
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SLC7A5, EML4, ARNT MAPT 2679/4885CYP2A6 2424/4885ALDH1A1 1266/4885
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR MAPT 240/4885CYP2A6 701/4885ALDH1A1 2965/4885
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION TYR, NOD2, AHR MAPT 240/4885CYP2A6 701/4885ALDH1A1 2965/4885
US-20190214575-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 MAPT 596/4885CYP2A6 3878/4885ALDH1A1 2463/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT MAPT 1533/4885CYP2A6 1130/4885ALDH1A1 2068/4885
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same C1S, EPB41, EPB41L2 MAPT 3264/4885CYP2A6 1866/4885ALDH1A1 1227/4885
US-10689402-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR MAPT 240/4885CYP2A6 701/4885ALDH1A1 2965/4885
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SLC7A5, EML4, ARNT MAPT 2679/4885CYP2A6 2424/4885ALDH1A1 1266/4885
US-20210395274-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION ARNT, TYR, NLRP3 MAPT 25/4885CYP2A6 848/4885ALDH1A1 2119/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.