SCHEMBL4420727

SCHEMBL4420727

Nc1cc2cc3occc3cc2o1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
CYP2C19 P33261 1/20 0.48
DYRK1A Q13627 8/20 0.46
CDK9 P50750 1/20 0.46
HTT P42858 1/20 0.39
PTPN1 P18031 2/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4419431 0.94 CYP2A6 (0.56) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL2149910 0.79 CYP2A6 (0.54) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL4426245 0.75 CYP2A6 (0.48) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL17051493 0.75 CYP3A4 (0.48) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL17086913 0.74 CYP2A6 (0.56) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL17086866 0.74 CYP2A6 (0.56) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL17086865 0.74 CYP2A6 (0.56) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL17086914 0.74 CYP2A6 (0.56) CYP2A6CYP3A4HSD17B10KDM4ECYP2D6
SCHEMBL5041508 0.73
SCHEMBL23794260 0.72 ACHE (0.54) 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 10 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
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
WO-2017089952-A1 DEGRADABLE CONJUGATED POLYMERS The Board of Trustees of the Leland Stanford Junior University Office of the General Counsel (US) 2017-06-01 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 405/4885CYP3A4 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.