SCHEMBL6729936

SCHEMBL6729936

COC(=O)c1ccc2c(c1)OCC2(C)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
RXRA P19793 10/20 0.46
CYP26A1 O43174 7/20 0.46
RXRB P28702 5/20 0.46
CYP26B1 Q9NR63 4/20 0.46
RARB P10826 6/20 0.43
RARG P13631 6/20 0.43
RARA P10276 4/20 0.42
RXRG P48443 3/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6734636 0.92 CYP3A4 (0.51) CYP3A4RXRACYP26A1RXRBCYP26B1
SCHEMBL6729166 0.87 RXRA (0.59) CYP3A4RXRACYP26A1RXRBCYP26B1
SCHEMBL6733785 0.85 RXRA (0.46) CYP3A4RXRACYP26A1RXRBCYP26B1
SCHEMBL6733888 0.84 CYP3A4 (0.45) CYP3A4RXRACYP26A1RXRBCYP26B1
SCHEMBL6730498 0.83 CYP3A4 (0.47) CYP3A4RXRACYP26A1RXRBCYP26B1
SCHEMBL7769613 0.83 RXRA (0.40) CYP3A4RXRACYP26A1RXRBCYP26B1
SCHEMBL6733050 0.81 CYP3A4 (0.45) CYP3A4RXRACYP26A1RXRBCYP26B1
SCHEMBL8101333 0.80 RARB (0.47) CYP3A4RXRACYP26A1RXRBCYP26B1
SCHEMBL7771786 0.80 RXRA (0.44) CYP3A4RXRACYP26A1RXRBCYP26B1
SCHEMBL1018779 0.80 RARB (0.58) CYP3A4CYP26A1RARBRARGRARA

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 6 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-6030952-A AS HUMAN AND VETERINARY MEDICINE, PARTICULARLY IN THE TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGIC CONDITIONS, AND IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIOUES GALDERMA (FR) 2000-02-29 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 147/4885RXRA 407/4885CYP26A1 144/4885

“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.