SCHEMBL6733036

SCHEMBL6733036

C=C(C)C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)COc2ccc(C(=O)OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.48
RARG P13631 6/20 0.48
RARA P10276 4/20 0.47
CYP3A4 P08684 4/20 0.47
RXRA P19793 12/20 0.46
RXRB P28702 7/20 0.46
CYP26A1 O43174 6/20 0.46
CYP26B1 Q9NR63 3/20 0.46
RXRG P48443 4/20 0.45
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6733888 0.93 CYP3A4 (0.45) RARBRARGRARACYP3A4RXRA
SCHEMBL6737755 0.89 RXRA (0.57) RARBRARGRARACYP3A4RXRA
SCHEMBL7769610 0.85 RXRA (0.40) RARBRARGRARACYP3A4RXRA
SCHEMBL6734636 0.84 CYP3A4 (0.51) RARBRARGRARACYP3A4RXRA
SCHEMBL7769492 0.82 RXRA (0.44) RARBRARGRARACYP3A4RXRA
SCHEMBL6737119 0.81 RXRA (0.55) RARBRARGRARARXRARXRB
SCHEMBL7773833 0.80 RXRA (0.39) RARBRARGRARACYP3A4RXRA
SCHEMBL6729936 0.78 CYP3A4 (0.49) RARBRARGRARACYP3A4RXRA
SCHEMBL7771635 0.77 RXRA (0.42) RARBRARGRARACYP3A4RXRA
SCHEMBL2788640 0.77 CYP3A4 (0.70) RARBRARGRARACYP3A4RXRA

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 RARB 619/4885RARG 576/4885RARA 617/4885

“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.