SCHEMBL4416833

SCHEMBL4416833

c1cc2cc3ccoc3cc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.64
CYP3A4 P08684 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
NFKB1 P19838 1/20 0.64
MAOA P21397 1/20 0.64
ACHE P22303 1/20 0.64
CYP2C19 P33261 1/20 0.64
DYRK1A Q13627 5/20 0.45
PTPN1 P18031 2/20 0.44
CDK9 P50750 1/20 0.43
HTT P42858 1/20 0.43
HTR1B P28222 4/20 0.38
EPM2A O95278 1/20 0.38
PTPRC P08575 1/20 0.38
PTPN6 P29350 1/20 0.38
CDC14A Q9UNH5 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38

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
SCHEMBL17086914 0.91 CYP2A6 (0.56) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL17086913 0.91 CYP2A6 (0.56) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL17086865 0.91 CYP2A6 (0.56) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL17086866 0.91 CYP2A6 (0.56) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL2149910 0.90 CYP2A6 (0.54) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL361764 0.84 CYP2A6 (0.50) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL14232041 0.82 CYP2A6 (0.48) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL21858497 0.82 CYP2A6 (0.48) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL4419431 0.80 CYP2A6 (0.56) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
Psoralen SCHEMBL17835 0.80 MAOA (1.00) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6

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 19 patents. 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-2023189399-A1 POLYMER AND USE THEREOF 日産化学株式会社 2023-10-05 WO disclosed
CN-115151552-A Condensed polycyclic aromatic compound 日本化药株式会社 2022-10-04 CN 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-2014094965-A2 EMITTER HAVING A CONDENSED RING SYSTEM MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US 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
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
US-6201129-B1 ANTICARCINOGENIC AGENTS UNIV. COLLEGE CARDIFF CONSULTANTS (GB) 2001-03-13 US disclosed
WO-1999045926-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AND IMMUNOMODULATORY AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1999-09-16 WO disclosed
WO-1995021171-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1995-08-10 WO 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 (2 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 CYP2A6 405/4885CYP3A4 381/4885HSD17B10 356/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP2A6 405/4885CYP3A4 381/4885HSD17B10 356/4885

“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.