SCHEMBL617293

SCHEMBL617293

COCOc1ccc(C2=CCSCC2)c(OCOC)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
ROR1 Q01973 1/20 0.32
FYN P06241 1/20 0.32
EGFR P00533 2/20 0.32
CYP19A1 P11511 1/20 0.31
HTR1D P28221 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
SCHEMBL616426 0.79 ROR1 (0.32) ROR1FYNEGFRCYP19A1
SCHEMBL6437081 0.74 ROR1 (0.38) ROR1FYNEGFRCYP19A1
SCHEMBL6433580 0.72 EGFR (0.37) ROR1FYNEGFRCYP19A1
SCHEMBL6433025 0.72 SUV39H2 (0.37) ROR1CYP19A1
SCHEMBL616646 0.68 ROR1 (0.38) ROR1FYNEGFRCYP19A1
SCHEMBL616433 0.68 ROR1 (0.38) ROR1FYNEGFRCYP19A1
SCHEMBL6433623 0.68 EGFR (0.34) ROR1FYNEGFRCYP19A1
SCHEMBL6433631 0.68 EGFR (0.34) ROR1FYNEGFRCYP19A1
SCHEMBL6437544 0.68 ROR1 (0.33) ROR1EGFRCYP19A1
SCHEMBL8751797 0.68 HDAC8 (0.46) ROR1FYNCYP19A1

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 CCNT1 721/4885CDK9 196/4885ROR1 341/4885

“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.