SCHEMBL6736906

SCHEMBL6736906

CC(C)(C)c1cc(CC2(c3ccc4c(c3)C(C)(C)CCC4(C)C)COc3cc(C(=O)O)ccc32)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.45
CYP26A1 O43174 5/20 0.45
CYP26B1 Q9NR63 5/20 0.45
RARG P13631 7/20 0.45
RARA P10276 6/20 0.45
RXRB P28702 5/20 0.44
RARB P10826 6/20 0.44
RXRG P48443 2/20 0.43
CNR2 P34972 2/20 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
SCHEMBL6729485 0.90 CYP3A4 (0.41) RXRACYP26A1CYP26B1RARGRARA
SCHEMBL7766320 0.87 CYP26B1 (0.37) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL7769575 0.84 PPARG (0.35) RXRACYP26A1CYP26B1RXRBCNR2
SCHEMBL6733629 0.81 RXRA (0.53) RXRACYP26A1CYP26B1RARGRARA
SCHEMBL6730306 0.80 CYP3A4 (0.33) CYP26A1
SCHEMBL6733069 0.79 RXRA (0.50) RXRACYP26A1CYP26B1RARGRARA
SCHEMBL7769514 0.78 RXRA (0.49) RXRACYP26A1CYP26B1RARGRARA
SCHEMBL6740648 0.77 RXRA (0.48) RXRACYP26A1CYP26B1RARGRARA
SCHEMBL6736308 0.76 RXRA (0.47) RXRACYP26A1CYP26B1RARGRARA
SCHEMBL6736305 0.76 RXRA (0.47) RXRACYP26A1CYP26B1RARGRARA

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
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 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 RXRA 407/4885CYP26A1 144/4885CYP26B1 149/4885

“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.