SCHEMBL3876544

SCHEMBL3876544

Nc1cc2c(cc1O)[nH]c1cc(O)c(N)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.64
PRKACA P17612 4/20 0.64
PRKACG P22612 4/20 0.64
PRKACB P22694 4/20 0.64
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 1/20 0.37
AHR P35869 1/20 0.36
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35

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
SCHEMBL3876188 0.90 SRC (0.64) SRCPRKACAPRKACGPRKACBPARP1
SCHEMBL3876929 0.86 AHR (0.61) SRCPRKACAPRKACGPRKACBPARP1
SCHEMBL8030923 0.79 MAPT (0.45) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL3876797 0.78 PARP1 (0.56) SRCPRKACAPRKACGPRKACBPARP1
SCHEMBL3883791 0.78 SRC (1.00) SRCPRKACAPRKACGPRKACBAHR
SCHEMBL3878280 0.78 AHR (0.61) SRCPRKACAPRKACGPRKACBPARP1
SCHEMBL6739346 0.71 PDE3B (0.41) SRCPRKACAPRKACGPRKACBPARP1
SCHEMBL6679449 0.71 AR (0.64)
SCHEMBL107865 0.71 ALOX15 (0.53) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL8033055 0.70 MAPT (0.45) SRCPRKACAPRKACGPRKACBALDH1A1

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.