SCHEMBL6733050

SCHEMBL6733050

C=CCC1(c2ccc3c(c2)C(C)(C)CCC3(C)C)COc2cc(C(=O)OC)ccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
CYP26A1 O43174 6/20 0.42
RXRA P19793 11/20 0.40
RARB P10826 6/20 0.40
RARG P13631 6/20 0.40
CYP26B1 Q9NR63 4/20 0.40
RXRB P28702 5/20 0.40
RARA P10276 5/20 0.39
RXRG P48443 5/20 0.37

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
SCHEMBL6733069 0.89 RXRA (0.50) CYP26A1RXRARARBRARGCYP26B1
SCHEMBL6734231 0.87 CYP3A4 (0.42) CYP3A4CYP26A1RXRARARBRARG
SCHEMBL6734227 0.87 CYP3A4 (0.42) CYP3A4CYP26A1RXRARARBRARG
SCHEMBL6730498 0.86 CYP3A4 (0.47) CYP3A4CYP26A1RXRARARBRARG
SCHEMBL7769865 0.85 RXRA (0.36) CYP3A4CYP26A1RXRARARBRARG
SCHEMBL7769497 0.83 RXRA (0.39) CYP3A4CYP26A1RXRARARBRARG
SCHEMBL6729936 0.81 CYP3A4 (0.49) CYP3A4CYP26A1RXRARARBRARG
SCHEMBL6729485 0.80 CYP3A4 (0.41) CYP3A4CYP26A1RXRARARBRARG
SCHEMBL6733888 0.79 CYP3A4 (0.45) CYP3A4CYP26A1RXRARARBRARG
SCHEMBL7769514 0.78 RXRA (0.49) CYP3A4CYP26A1RXRARARBRARG

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
US-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof DIAZ PHILIPPE (FR) 2004-08-19 US claimed
EP-0823903-B1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CT INTERNAT DE RECH S (FR) 2001-07-18 EP claimed
US-5981776-A FOR USE IN HUMAN OR VETERINARY MEDICINE (DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGICAL COMPLAINTS IN PARTICULAR), OR ALTERNATIVELY IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-11-09 US claimed
US-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof DIAZ PHILIPPE (FR) 2004-08-19 US disclosed
US-5981776-A FOR USE IN HUMAN OR VETERINARY MEDICINE (DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGICAL COMPLAINTS IN PARTICULAR), OR ALTERNATIVELY IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-11-09 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-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof TYR, MITF, CYP1B1 CYP3A4 147/4885CYP26A1 144/4885RXRA 407/4885

“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.