SCHEMBL615265

SCHEMBL615265

COCOc1ccc(C2(O)CCSCC2)c(OCOC)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
ROR1 Q01973 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALOX5 P09917 1/20 0.31
PTPN1 P18031 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
RARG P13631 1/20 0.30
FYN P06241 1/20 0.30
BACE1 P56817 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
SCHEMBL613279 0.92 ALDH1A1 (0.33) ALDH1A1ROR1PTPN1
SCHEMBL31166793 0.87 ALDH1A1 (0.35) ALDH1A1ROR1SIGMAR1PTPN1CYP3A4
SCHEMBL6437802 0.81 ALDH1A1 (0.36) ALDH1A1ROR1PTPN1CYP3A4CYP2D6
SCHEMBL616025 0.79 ROR1 (0.38) ALDH1A1ROR1ALOX5PTPN1CYP3A4
SCHEMBL31167221 0.73 FYN (0.34) ALDH1A1ROR1CYP3A4CYP2D6CYP2C9
SCHEMBL6433538 0.72 ROR1 (0.34) ALDH1A1ROR1PTPN1
SCHEMBL613626 0.69 ROR1 (0.36) ALDH1A1ROR1PTPN1MAPTFYN
SCHEMBL31432509 0.69 ALOX15 (0.40) ALDH1A1ROR1CYP3A4CYP2D6CYP2C9
SCHEMBL616927 0.69 HDAC3 (0.32) ALDH1A1ROR1CYP3A4CYP2D6CYP2C9
SCHEMBL8751797 0.69 HDAC8 (0.46) ALDH1A1ROR1CYP3A4CYP2D6CYP2C9

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 341/4885SIGMAR1 4761/4885

“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.