SCHEMBL6734814

SCHEMBL6734814

Cc1cc2c(cc1C1(C)COc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.58
RXRB P28702 8/20 0.54
RXRG P48443 8/20 0.54
RARB P10826 8/20 0.52
RARG P13631 8/20 0.52
RARA P10276 7/20 0.52
PPARG P37231 2/20 0.50
CYP26A1 O43174 2/20 0.50
CYP26B1 Q9NR63 2/20 0.50
MEN1 O00255 1/20 0.50
ABCB11 O95342 1/20 0.50
ESR1 P03372 1/20 0.50
PGR P06401 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL7801892 0.90 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL6733785 0.87 RXRA (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL6729166 0.84 RXRA (0.59) RXRARXRBRXRGRARBRARG
SCHEMBL7771303 0.83 RXRA (0.45) RXRARXRBRXRGRARBRARG
SCHEMBL7771646 0.79 RXRA (0.41) RXRARXRBRXRGRARBRARG
SCHEMBL7808934 0.79 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL8093205 0.78 RARB (0.50) RXRARXRBRXRGRARBRARG
SCHEMBL1021435 0.77 RARB (0.56) RXRARXRBRXRGRARBRARG
SCHEMBL6730217 0.76 RXRA (0.57) RXRARXRBRXRGRARBRARG
SCHEMBL3346290 0.74 RARB (0.64) RXRARXRBRXRGRARBRARG

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 8 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
EP-0823903-A1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-02-18 EP disclosed
WO-1997029100-A1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-08-14 WO 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 407/4885RXRB 399/4885RXRG 392/4885

“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.