SCHEMBL4416715

SCHEMBL4416715

c1cc2cc3ccsc3cc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
DYRK1A Q13627 5/20 0.34
CDK9 P50750 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 1/20 0.32
PTPN1 P18031 1/20 0.32
HTR1B P28222 4/20 0.30
EPM2A O95278 1/20 0.30
PTPRC P08575 1/20 0.30
PTPN6 P29350 1/20 0.30
CDC14A Q9UNH5 1/20 0.30

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
SCHEMBL2150462 0.92 CYP2A6 (0.39) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL4416833 0.75 CYP2A6 (0.64) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL1041559 0.75 CYP2A6 (0.48) CYP2A6KDM4ENFKB1DYRK1APTPRC
SCHEMBL17086866 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL14041414 0.73 CYP2A6 (0.46) CYP2A6KDM4ENFKB1DYRK1APTPRC
SCHEMBL29733470 0.73 CYP2A6 (0.46) CYP2A6KDM4ENFKB1DYRK1APTPRC
SCHEMBL17086865 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL17086914 0.73 CYP2A6 (0.56) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL2344449 0.73 CYP2A6 (0.46) CYP2A6KDM4ENFKB1DYRK1APTPRC
SCHEMBL457633 0.73 CYP2A6 (0.46) CYP2A6KDM4ENFKB1DYRK1APTPRC

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 14 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
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

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 405/4885KDM4E 1418/4885CYP3A4 381/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP2A6 405/4885KDM4E 1418/4885CYP3A4 381/4885

“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.