SCHEMBL3665428

SCHEMBL3665428

Brc1ccc(-c2c3ccccc3cc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAOB P27338 1/20 0.44
▸ CYP2A6 P11509 1/20 0.43
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ CYP1B1 Q16678 4/20 0.40
▸ CYP1A1 P04798 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ TNKS O95271 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL31255706 1.00 ALOX5 (0.55) ALOX5ALDH1A1MAPK1MAOBCYP2A6
SCHEMBL24054438 0.94 ALOX5 (0.50) ALOX5ALDH1A1MAPK1MAOBCYP2A6
SCHEMBL29203669 0.89 ALOX5 (0.46) ALOX5ALDH1A1MAPK1MAOBCYP2A6
SCHEMBL18422834 0.88 ESR1 (0.50) ALOX5ALDH1A1MAPK1ESR1ESR2
SCHEMBL25388396 0.85 ALDH1A1 (0.50) ALOX5ALDH1A1MAPK1CYP2A6ESR1
SCHEMBL4875334 0.85 ESR1 (0.47) ALOX5ALDH1A1MAPK1MAOBCYP2A6
SCHEMBL12560673 0.85 ALOX5 (0.53) ALOX5ALDH1A1MAPK1ESR1ESR2
SCHEMBL28286680 0.84 CYP2A6 (0.47) ALOX5ALDH1A1MAPK1CYP2A6ESR1
SCHEMBL1665653 0.84 ALDH1A1 (0.57) ALDH1A1MAPK1MAOBCYP2A6CYP1B1
SCHEMBL29696841 0.84 ALDH1A1 (0.57) ALDH1A1MAPK1MAOBCYP2A6CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3281238-B1 SEMICONDUCTING MATERIAL COMPRISING A PHOSPHINE OXIDE MATRIX AND METAL SALT NOVALED GMBH (DE) 2024-04-24 — — EP disclosed
CN-113135828-B Aromatic amine, alpha-diimine ligand and nickel catalyst based on rigid terphenyl structure and preparation method and application thereof 中国科学院长春应用化学研究所 2022-11-22 — — CN disclosed
US-11309495-B2 Semiconducting material comprising a phosphine oxide matrix and metal salt NOVALED GMBH (DE) 2022-04-19 — — US disclosed
CN-113135828-A Aromatic amine, alpha-diimine ligand and nickel catalyst based on rigid terphenyl structure and preparation method and application thereof 中国科学院长春应用化学研究所 2021-07-20 — — CN disclosed
WO-2021025163-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME 出光興産株式会社 2021-02-11 — — WO disclosed
WO-2021025162-A1 NOVEL COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME, AND ELECTRONIC APPLIANCE 出光興産株式会社 2021-02-11 — — WO disclosed
US-10351580-B2 Acene-based transmitter molecules for photon upconversion THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-16 — — US disclosed
CN-107438908-B Semiconductor material comprising phosphine oxide matrix and metal salt 诺瓦尔德股份有限公司 2019-06-18 — — CN disclosed
US-9972790-B2 Anthracene derivative, and light-emitting material, light-emitting element, light-emitting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-05-15 — — US disclosed
US-20180114914-A1 Semiconducting Material Comprising a Phosphine Oxide Matrix and Metal Salt NOVALED GMBH (DE) 2018-04-26 — — US disclosed
CN-100445245-C Organic electroluminescent element IDEMITSU KOSAN CO (JP) 2008-12-24 — — CN disclosed
US-20080193799-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2008-08-14 — — US disclosed
US-7361796-B2 Orangic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2008-04-22 — — US disclosed
US-20070048532-A1 Organosiloxane compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-03-01 — — US disclosed
US-20070048532-A1 Organosiloxane compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-03-01 — — US disclosed
US-7053255-B2 Substituted diphenylanthracene compounds for organic electroluminescence devices IDEMITSU KOSAN CO., LTD. (JP) 2006-05-30 — — US disclosed
US-20060083947-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2006-04-20 — — US disclosed
US-20040214035-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. 2004-10-28 — — US disclosed
EP-1333018-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2003-08-06 — — EP disclosed
CN-1394195-A Organic electroluminescent element IDEMITSU KOSAN CO (JP) 2003-01-29 — — CN 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 (5 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-10351580-B2 Acene-based transmitter molecules for photon upconversion ACE, ACE2, AGTR1 ALOX5 3541/4885ALDH1A1 93/4885MAPK1 2719/4885
US-20080193799-A1 Organic electroluminescence device EED, KCNH2, DCX ALOX5 1459/4885ALDH1A1 66/4885MAPK1 1252/4885
US-20070048532-A1 Organosiloxane compound and organic light-emitting device comprising the same AOX1, PPOX, SQLE ALOX5 44/4885ALDH1A1 195/4885MAPK1 3360/4885
US-11309495-B2 Semiconducting material comprising a phosphine oxide matrix and metal salt C1S, C5, SLC26A3 ALOX5 1968/4885ALDH1A1 2484/4885MAPK1 1269/4885
US-20180114914-A1 Semiconducting Material Comprising a Phosphine Oxide Matrix and Metal Salt C1S, C5, SLC26A3 ALOX5 1968/4885ALDH1A1 2484/4885MAPK1 1269/4885

“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.

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