SCHEMBL614590

SCHEMBL614590

Oc1ccc(C2=CSCC2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RUNX1 Q01196 1/20 0.37
CBFB Q13951 1/20 0.37
TYR P14679 4/20 0.36
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
ALOX15 P16050 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34

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
SCHEMBL6434406 0.69 ACMSD (0.45) ALOX5GAAMAOAMAOBPRKCI
SCHEMBL29623114 0.68 ALOX5 (0.62) ALOX5ALDH1A1HTTMAPTGAA
SCHEMBL278749 0.68 ALOX5 (0.62) ALOX5ALDH1A1HTTMAPTGAA
SCHEMBL6433515 0.65 ESR2 (0.44) ALOX5TYRESR1ESR2MAOA
SCHEMBL6433561 0.63 ALOX5 (0.37) ALOX5ALDH1A1HTTMAPTGAA
SCHEMBL6454616 0.63 MAOA (0.40) ALOX5ALDH1A1MAPTGAAHPGD
SCHEMBL6436211 0.63 MAOA (0.47) ALOX5TYRESR1ESR2MAOA
SCHEMBL6433555 0.63 ALOX5 (0.37) ALOX5ALDH1A1HTTMAPTGAA
SCHEMBL784291 0.60 MAOB (0.59) MIFESR1ESR2MAOAMAOB
SCHEMBL16196429 0.60 ALOX5 (0.52) ALOX5ALDH1A1HTTMAPTGAA

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
EP-2529735-B1 COMPOSITIONS COMPRISING 4-(HETEROCYCLOALKYL)BENZENE-1,3-DIOL DERIVATIVES WITH TYROSINASE ENZYME INHIBITING ACTIVITY GALDERMA RES & DEV (FR) 2014-06-25 EP disclosed
US-8372879-B2 4-(heterocycloalkyl) benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and also in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-12 US disclosed
EP-2529735-A1 Novel 4-(heterocycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and also in cosmetics Galderma Research & Development (FR) 2012-12-05 EP disclosed
EP-2373310-B1 NOVEL 4-(HETEROCYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND ALSO IN COSMETICS GALDERMA RES & DEV (FR) 2012-10-10 EP disclosed
US-20120041213-A1 4-(HETEROCYCLOALKYL) BENZENE -1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND ALSO IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-02-16 US disclosed
EP-2373310-A1 NOVEL 4-(HETEROCYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND ALSO IN COSMETICS Galderma Research & Development (FR) 2011-10-12 EP disclosed
WO-2010063773-A1 NOVEL 4-(HETEROCYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND ALSO IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 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-20120041213-A1 4-(HETEROCYCLOALKYL) BENZENE -1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND ALSO IN COSMETICS TYR, DDT, PAH ALOX5 1013/4885ALDH1A1 56/4885HTT 996/4885

“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.