SCHEMBL455974

SCHEMBL455974

[c]1cccc2ccc3ccc4ccccc4c3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 4/20 0.44
CYP2A6 P11509 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 5/20 0.43
HPGD P15428 3/20 0.43
THRB P10828 1/20 0.43
HPRT1 P00492 1/20 0.41
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
CYP1B1 Q16678 2/20 0.38
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL25021 0.85 ALDH1A1 (0.50) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL20773881 0.83 HSD17B10 (0.42) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL534917 0.83 HSD17B10 (0.48) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL12080039 0.82 HSD17B10 (0.48) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL16241014 0.82 CDK4 (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL844928 0.82 HPRT1 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL145165 0.80 HPRT1 (0.48) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL9276992 0.80 CYP2A6 (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL534952 0.79 HPRT1 (0.58) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL844969 0.79 HPRT1 (0.46) HSD17B10ALDH1A1TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399200-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS Mitsubishi Gas Chemical Company, Inc. (JP) 2024-07-17 EP claimed
EP-4399199-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS Reuter Chemische Apparatebau e.K. (DE) 2024-07-17 EP claimed
EP-4373243-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2024-05-22 EP claimed
US-20240147853-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-05-02 US claimed
WO-2024080748-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-04-18 WO claimed
EP-4345099-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2024-04-03 EP claimed
US-20240065102-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-02-22 US claimed
WO-2023219337-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-11-16 WO claimed
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO claimed
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US claimed
EP-3334769-A1 CATALYSTS Qatar Foundation (QA) 2018-06-20 EP claimed
US-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US claimed
US-9812661-B2 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2017-11-07 US claimed
WO-2017025701-A1 CATALYSTS QATAR FOUNDATION (QA) 2017-02-16 WO claimed
US-20160268517-A1 BISCARBAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-09-15 US claimed
US-9318709-B2 Material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-04-19 US claimed
US-9306171-B2 Material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-04-05 US claimed
US-20140001451-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-01-02 US claimed
US-20120235888-A1 NEW BENZO[c]PHENANTHRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 2012-09-20 US claimed
US-20030092637-A1 Novel compounds XYLOGEN AB (SE) 2003-05-15 US claimed

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

For each of this compound's patents that has machine-readable text (7 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-20030092637-A1 Novel compounds ENTPD5, G6PD, G6PC1 HSD17B10 859/4885ALDH1A1 986/4885TSHR 4486/4885
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY2, CYBA, AHR HSD17B10 1154/4885ALDH1A1 484/4885TSHR 2187/4885
US-20120235888-A1 NEW BENZO[c]PHENANTHRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME AHR, ARNT, NR0B1 HSD17B10 59/4885ALDH1A1 244/4885TSHR 3511/4885
US-20160268517-A1 BISCARBAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME L1CAM, CCNT1, CCNA1 HSD17B10 2629/4885ALDH1A1 71/4885TSHR 2839/4885
US-20240065102-A1 ORGANIC LIGHT EMITTING DEVICE CRY1, CRY2, CYP1A1 HSD17B10 697/4885ALDH1A1 10/4885TSHR 4741/4885
US-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE CBX8, MLX, HAX1 HSD17B10 3962/4885ALDH1A1 2418/4885TSHR 1888/4885
US-20240147853-A1 ORGANIC LIGHT EMITTING DEVICE CRY1, CRY2, CYP1A1 HSD17B10 722/4885ALDH1A1 10/4885TSHR 4720/4885

“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.