SCHEMBL6740646

SCHEMBL6740646

CC1(C)CCC(C)(C)c2cc(C3(C)COc4ccc(C=O)cc43)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.41
CYP3A4 P08684 2/20 0.41
RARB P10826 10/20 0.40
RARG P13631 10/20 0.40
RARA P10276 8/20 0.40
CYP26B1 Q9NR63 3/20 0.40
RXRA P19793 11/20 0.38
RXRB P28702 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
RXRG P48443 4/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7801860 0.91 CYP26A1 (0.42) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7803929 0.87 ALDH1A1 (0.38) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7794100 0.86 ALDH1A1 (0.37) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7794064 0.84 RARB (0.41) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7799680 0.84 CYP26A1 (0.60) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7794061 0.84 CYP26A1 (0.60) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7801865 0.82 RXRA (0.39) RARBRARGRARARXRARXRB
SCHEMBL7794083 0.81 KDM4E (0.49) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7794075 0.81 KDM4E (0.49) CYP26A1CYP3A4RARBRARGRARA
SCHEMBL7799686 0.81 ALDH1A1 (0.38) RARBRARGRARAALDH1A1HSD17B10

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 12 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-0882033-B1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CT INTERNAT DE RECH S (FR) 2001-08-16 EP 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-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
EP-0882033-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-12-09 EP disclosed
WO-1998024778-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-06-11 WO 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 CYP26A1 144/4885CYP3A4 147/4885RARB 619/4885

“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.