SCHEMBL4953281

SCHEMBL4953281

CC(C)n1ncc2c(O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.41
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
HTR2C P28335 1/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32
APP P05067 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL21140432 0.80 CYP11B1 (0.47) EZH2HTR2CCYP11B1CYP11B2KMT2A
SCHEMBL12120875 0.79 EZH2 (0.39) EZH2TRPV1KDM4EHTR2CCYP11B1
SCHEMBL21733234 0.79 ADRA2A (0.41) EZH2PDE1APDE1BPDE1CKMT2A
SCHEMBL29303420 0.79 EZH2 (0.39) EZH2TRPV1CYP11B1CYP11B2PDE1A
SCHEMBL26956221 0.79 DDB1 (0.42) EZH2TRPV1KDM4ECYP11B1CYP11B2
SCHEMBL19531869 0.79 CYP11B1 (0.48) EZH2TRPV1HTR2CCYP11B1CYP11B2
SCHEMBL30975428 0.79 EZH2 (0.39) EZH2TRPV1CYP11B1CYP11B2PDE1A
SCHEMBL15687199 0.78 EZH2 (0.41) EZH2TRPV1KDM4EPDE1APDE1B
SCHEMBL2594393 0.77 EZH2 (0.51) EZH2TRPV1KDM4ECYP11B2KMT2A
SCHEMBL29846416 0.77 EZH2 (0.51) EZH2TRPV1KDM4ECYP11B2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
CN-101010118-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-08-01 CN disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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 (1 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C EZH2 666/4885TRPV1 3847/4885KDM4E 261/4885

“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.