SCHEMBL4419981

SCHEMBL4419981

c1cc2cc3ccoc3cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
CYP2A6 P11509 5/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CSNK2A1 P68400 1/20 0.40
NPC1 O15118 1/20 0.40
AHR P35869 6/20 0.39
NR4A2 P43354 2/20 0.39
CMA1 P23946 1/20 0.39
F7 P08709 1/20 0.39
LTA4H P09960 1/20 0.39
F3 P13726 1/20 0.39
TYR P14679 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
SCHEMBL4418609 0.92 GPR84 (0.45) GPR84CYP2A6KDM4ECYP3A4CYP2D6
SCHEMBL30415502 0.92 GPR84 (0.45) GPR84CYP2A6KDM4ECYP3A4CYP2D6
SCHEMBL3731175 0.75 GPR84 (0.64) GPR84CYP2A6KDM4EHSD17B10CSNK2A1
SCHEMBL4416833 0.75 CYP2A6 (0.64) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL23714123 0.73 GPR84 (0.61) GPR84CYP2A6KDM4EHSD17B10CSNK2A1
SCHEMBL17086865 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL17086866 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL17086914 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL17086913 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL2530865 0.72 GPR84 (0.67) GPR84CYP2A6KDM4EHSD17B10CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP claimed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
WO-2025039999-A1 FUSED HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2025-02-27 WO disclosed
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 US disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 US disclosed
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 WO disclosed
US-20160197275-A1 EMITTER HAVING A CONDENSED RING SYSTEM MERCK PATENT GMBH (DE) 2016-07-07 US disclosed
US-20160197275-A1 EMITTER HAVING A CONDENSED RING SYSTEM MERCK PATENT GMBH (DE) 2016-07-07 US disclosed
WO-2015175678-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-19 WO disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
US-7008940-B1 Dihydrobenzofuran derivatives, process for the preparing thereof and agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-07 US disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US disclosed
EP-1213290-B1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA PHARMACEUTICAL (JP) 2005-04-20 EP disclosed
EP-1213290-A1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-12 EP 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 GPR84 3974/4885CYP2A6 405/4885KDM4E 1418/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 GPR84 3974/4885CYP2A6 405/4885KDM4E 1418/4885
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB GPR84 3340/4885CYP2A6 1116/4885KDM4E 3074/4885
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 GPR84 3514/4885CYP2A6 2024/4885KDM4E 2444/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 GPR84 3949/4885CYP2A6 1333/4885KDM4E 2858/4885

“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.