SCHEMBL613279

SCHEMBL613279

COCOc1ccc(C2(O)CCSC2)c(OCOC)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ROR1 Q01973 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL615265 0.92 ALDH1A1 (0.36) ALDH1A1ROR1PTPN1
SCHEMBL31166793 0.82 ALDH1A1 (0.35) ALDH1A1ROR1PTPN1
SCHEMBL616025 0.77 ROR1 (0.38) ALDH1A1ROR1PTPN1
SCHEMBL6437802 0.76 ALDH1A1 (0.36) ALDH1A1ROR1PTPN1
SCHEMBL31167221 0.71 FYN (0.34) ALDH1A1ROR1
SCHEMBL6433538 0.68 ROR1 (0.34) ALDH1A1ROR1PTPN1
SCHEMBL31432509 0.68 ALOX15 (0.40) ALDH1A1ROR1
SCHEMBL616927 0.68 HDAC3 (0.32) ALDH1A1ROR1
SCHEMBL8751797 0.67 HDAC8 (0.46) ALDH1A1ROR1
SCHEMBL31166821 0.67 PDE2A (0.40) ROR1

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 5 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

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 ALDH1A1 56/4885ROR1 341/4885PTPN1 1223/4885

“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.