SCHEMBL613626

SCHEMBL613626

COCOc1ccc(C2CCSCC2)c(OCOC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 1/20 0.36
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
NPY1R P25929 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
BRCA1 P38398 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL6434923 0.84 ROR1 (0.36) ROR1MMP2MMP3MMP9MMP14
SCHEMBL6433053 0.82 ROR1 (0.40) ROR1MMP2MMP3MMP9MMP14
SCHEMBL6433135 0.78 PDE10A (0.39) ROR1NPY1RALDH1A1PTPN1CYP19A1
SCHEMBL6438560 0.77 ROR1 (0.41) ROR1MMP2MMP3MMP9MMP14
SCHEMBL6485919 0.77 FFAR4 (0.41) PTGDR2FFAR1
SCHEMBL6434856 0.77 ROR1 (0.36) ROR1NPY1RSLC6A2SLC6A4SLC6A3
SCHEMBL615752 0.76 ROR1 (0.37) ROR1MMP2MMP3MMP9MMP14
SCHEMBL615753 0.76 ROR1 (0.37) ROR1MMP2MMP3MMP9MMP14
SCHEMBL6434678 0.76 ADORA2A (0.35) ROR1NPY1RMEN1KMT2AKDM4E
SCHEMBL6433596 0.76 JAK2 (0.35) ROR1MEN1KMT2AKDM4EALDH1A1

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 ROR1 341/4885MMP2 587/4885MMP3 2168/4885

“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.