SCHEMBL3875962

SCHEMBL3875962

Nc1cc(O)cc2[nH]c3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.50
CCND1 P24385 2/20 0.50
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
ALDH1A1 P00352 4/20 0.45
GPR3 P46089 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AHR P35869 2/20 0.44
ROCK2 O75116 2/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
IDE P14735 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
SCHEMBL28762584 0.82 CDK4 (0.48) CDK4CCND1IMPDH2IMPDH1MEN1
SCHEMBL3881310 0.81 CDK4 (0.51) CDK4CCND1IMPDH2IMPDH1ALDH1A1
SCHEMBL30873777 0.81 IMPDH2 (0.63) CDK4CCND1IMPDH2IMPDH1ALDH1A1
SCHEMBL3874953 0.81 IMPDH2 (0.63) CDK4CCND1IMPDH2IMPDH1ALDH1A1
SCHEMBL3876244 0.80 PLAU (0.36) CHEK1WEE1
SCHEMBL25782141 0.79 KDM4E (0.50) CDK4CCND1IMPDH2IMPDH1ALDH1A1
SCHEMBL28762585 0.78 IMPDH2 (0.50) CDK4CCND1IMPDH2IMPDH1ALDH1A1
Carbazole SCHEMBL27962774 0.76 ALDH1A1 (0.70) CDK4CCND1IMPDH2IMPDH1ALDH1A1
SCHEMBL3886228 0.75 IMPDH2 (0.59) CDK4CCND1IMPDH2IMPDH1ALDH1A1
SCHEMBL3880297 0.75 POLB (0.49) CDK4CCND1ALDH1A1GPR3HSD17B10

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 CDK4 694/4885CCND1 1792/4885IMPDH2 2923/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 CDK4 694/4885CCND1 1792/4885IMPDH2 2923/4885

“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.