SCHEMBL4952575

SCHEMBL4952575

CC(C)On1ccc2cc(O)c(O)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.35
HTR2C P28335 5/20 0.33
HTR2A P28223 5/20 0.32
GPR35 Q9HC97 1/20 0.32
DAO P14920 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALOX15 P16050 3/20 0.32
ALOX12 P18054 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ESR1 P03372 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 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
SCHEMBL4954410 0.87 ALDH1A1 (0.35) HTR2CHTR2AALOX15ALOX12KDM4E
SCHEMBL4952825 0.87 ALDH1A1 (0.35) HTR2CHTR2AALOX15ALOX12KDM4E
SCHEMBL4952843 0.81 HTR2C (0.38) HTR2CHTR2ACA12CA1CA2
SCHEMBL4951865 0.79 ACHE (0.40) ACHEGPR35DAO
SCHEMBL4956101 0.79 PRKCI (0.38) HTR2CHTR2APRKCI
SCHEMBL4953859 0.76 GPR35 (0.37) ACHEGPR35DAOCA12CA1
SCHEMBL4955692 0.74 PRKCI (0.44) HTR2CHTR2AKDM4EALDH1A1CYP3A4
SCHEMBL9108868 0.72 ACHE (0.36) ACHEHTR2CHTR2AGPR35DAO
SCHEMBL6530754 0.72 CDK4 (0.45) HTR2CHTR2ACA12CA9ALDH1A1
SCHEMBL4954033 0.70 HTR2C (0.43) HTR2CHTR2ACA12CA1CA2

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 6 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
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 ACHE 696/4885HTR2C 2099/4885HTR2A 3351/4885

“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.