SCHEMBL3876816

SCHEMBL3876816

CCNc1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.57
AHR P35869 1/20 0.52
AR P10275 1/20 0.51
MAOA P21397 1/20 0.50
ALDH1A1 P00352 1/20 0.48
GPR3 P46089 1/20 0.48
HSD17B10 Q99714 1/20 0.48
UTS2R Q9UKP6 1/20 0.48
KDM4E B2RXH2 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL9231467 0.90 KDM4E (0.58) KIF11AHRARALDH1A1GPR3
SCHEMBL22181882 0.87 AR (0.55) KIF11AHRARMAOAALDH1A1
SCHEMBL3872878 0.81 AR (0.50) KIF11ARALDH1A1HSD17B10KDM4E
SCHEMBL24851241 0.81 P2RY12 (0.62) ARMAOAALDH1A1KDM4EMTNR1A
SCHEMBL3873659 0.80 KIF11 (0.50) KIF11AHRMAOAALDH1A1GPR3
SCHEMBL3881185 0.78 ALDH1A1 (0.52) KIF11AHRMAOAALDH1A1GPR3
SCHEMBL3878051 0.75 KDM4E (0.54) KIF11AHRMAOAALDH1A1GPR3
SCHEMBL22591631 0.75 AHR (0.61) KIF11AHRMAOAALDH1A1GPR3
SCHEMBL24406180 0.75 AHR (0.55) KIF11AHRARMAOAALDH1A1
Carbazole SCHEMBL28852407 0.74 ALDH1A1 (0.78) KIF11AHRMAOAALDH1A1GPR3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 KIF11 779/4885AHR 1457/4885AR 1253/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KIF11 779/4885AHR 1457/4885AR 1253/4885

“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.