SCHEMBL3885306

SCHEMBL3885306

Nc1ccc2c(c1)[nH]c1cc(O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.55
PARP1 P09874 1/20 0.53
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
PLAU P00749 1/20 0.44
HTR2C P28335 1/20 0.43
CA14 Q9ULX7 2/20 0.42
CA3 P07451 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
CA6 P23280 1/20 0.42
CASP1 P29466 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL124178 0.87 KDM4E (0.57) CDK4CCND1ALDH1A1KDM4EGLA
SCHEMBL29365550 0.87 KDM4E (0.57) CDK4CCND1ALDH1A1KDM4EGLA
SCHEMBL29683901 0.87 KIF11 (0.67) KIF11PARP1CDK4CCND1ALDH1A1
SCHEMBL64877 0.87 KIF11 (0.67) KIF11PARP1CDK4CCND1ALDH1A1
SCHEMBL27673169 0.85 FGFR1 (0.58) KIF11PARP1CDK4CCND1ALDH1A1
SCHEMBL3874400 0.79 TDP1 (0.50) KIF11PARP1CDK4CCND1GAA
SCHEMBL28412384 0.78 BCHE (0.58) KIF11CDK4CCND1ALDH1A1KDM4E
SCHEMBL5914553 0.78 KIF11 (0.68) KIF11PARP1CDK4CCND1AR
SCHEMBL29561487 0.78 BCHE (0.58) KIF11CDK4CCND1ALDH1A1KDM4E
SCHEMBL30975189 0.78 KIF11 (0.68) KIF11PARP1CDK4CCND1AR

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 KIF11 779/4885PARP1 2050/4885CDK4 694/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KIF11 779/4885PARP1 2050/4885CDK4 694/4885

“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.