SCHEMBL3874879

SCHEMBL3874879

Nc1cc(O)c2c(c1)[nH]c1cc(N)cc(O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
THRB P10828 1/20 0.33
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTPN1 P18031 1/20 0.31
NQO1 P15559 1/20 0.31
KIF11 P52732 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 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
SCHEMBL3874734 0.82 ESR1 (0.36) SRCPRKACAPRKACGPRKACBESR2
SCHEMBL3886228 0.80 IMPDH2 (0.59) MAPTALDH1A1GAAKDM4ENQO1
SCHEMBL3884388 0.74 TYMS (0.35) TSHRALDH1A1KIF11CDK4CCND1
SCHEMBL3884410 0.74 ESR1 (0.46) SRCPRKACAPRKACGPRKACBTSHR
SCHEMBL3876539 0.67 TSHR (0.37) TSHRCASP1THRBMAPTALDH1A1
SCHEMBL632547 0.66 THRB (0.50) TSHRCASP1THRBMAPTALDH1A1
SCHEMBL11798878 0.66 CASP1 (0.43) TSHRCASP1THRBMAPTALDH1A1
SCHEMBL3882242 0.65 MAOA (0.35) TSHRCASP1THRBMAPTALDH1A1
SCHEMBL3876244 0.65 PLAU (0.36) SRCPRKACAPRKACGPRKACBESR2
SCHEMBL3877860 0.65 MGAM (0.50) SRCTSHRCASP1MAPTALDH1A1

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 8 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
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 SRC 2779/4885PRKACA 1460/4885PRKACG 1247/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 SRC 2779/4885PRKACA 1460/4885PRKACG 1247/4885

“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.