SCHEMBL4951985

SCHEMBL4951985

CNn1ccc2cc(O)c(O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.36
GPR35 Q9HC97 2/20 0.34
DAO P14920 1/20 0.34
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RECQL P46063 2/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
ADRB2 P07550 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2D6 P10635 1/20 0.31
ADRB3 P13945 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL4955532 0.85 PIK3CB (0.34) DAOMEN1MAPTKMT2AKDM4E
SCHEMBL5999280 0.82 ACHE (0.37) ACHEGPR35DAOMEN1MAPT
SCHEMBL4952790 0.79 ACHE (0.34) ACHEGPR35DAOMEN1MAPT
SCHEMBL4949682 0.76 PRKCI (0.37)
SCHEMBL108453 0.72 PRKCI (0.50) ACHEGPR35DAOMAPT
SCHEMBL29803376 0.72 PRKCI (0.50) ACHEGPR35DAOMAPT
Bromide SCHEMBL4625069 0.71 PRKCI (0.48) ACHEGPR35DAOMAPT
Hydrochloric Acid SCHEMBL4624814 0.71 PRKCI (0.48) ACHEGPR35DAOMAPT
SCHEMBL4949672 0.71 SRC (0.41) GPR35MEN1MAPTKMT2AKDM4E
SCHEMBL4951981 0.71 PRKCI (0.44) ACHEMEN1MAPTKMT2AKDM4E

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 696/4885GPR35 2638/4885DAO 74/4885

“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.