SCHEMBL699450

SCHEMBL699450

Cc1cc(=O)n(-c2ccc(C(=O)O)s2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 7/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM5A P29375 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
DAO P14920 2/20 0.43
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
PTGER1 P34995 1/20 0.39
ALKBH5 Q6P6C2 3/20 0.38
ALPL P05186 2/20 0.38
ENPP3 O14638 1/20 0.38
XIAP P98170 1/20 0.38

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
SCHEMBL691653 0.83 ALKBH5 (0.51) DAOALKBH5
SCHEMBL394287 0.70 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL11589085 0.68 ALDH1A1 (0.68) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
Methyl Alcohol SCHEMBL1028813 0.67 MAPT (0.69) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL7894742 0.67 ALDH1A1 (0.70) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL27562112 0.65 DAO (0.64) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL11586022 0.65 MAPT (0.62) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL486233 0.64 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL28264294 0.64 MAPT (1.00) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL10607136 0.64 MAPT (0.68) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2

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
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
US-7985266-B2 Keratin dyeing compositions comprising a radical scavenger and a chelant and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-07-26 US claimed
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof NOXELL CORPORATION 2011-02-17 US claimed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
US-7985266-B2 Keratin dyeing compositions comprising a radical scavenger and a chelant and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-07-26 US disclosed
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof NOXELL CORPORATION 2011-02-17 US disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO 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-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof KRT18, LPO, KRTCAP2 ALDH1A1 354/4885MAPT 547/4885KMT2A 1425/4885

“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.