SCHEMBL5847689

SCHEMBL5847689

COC(=O)c1cc(Br)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
RARA P10276 12/20 0.49
RARB P10826 12/20 0.49
RARG P13631 11/20 0.49
CYP26A1 O43174 2/20 0.46
RXRA P19793 4/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL5846015 0.85 RARB (0.63) CYP3A4RARARARBRARGCYP26A1
SCHEMBL5847754 0.84 RARB (0.72) RARARARBRARGRXRAABCB1
SCHEMBL18775432 0.79 RARB (0.73) CYP3A4RARARARBRARGCYP26A1
SCHEMBL17327788 0.78 RARA (0.67) CYP3A4RARARARBRARGCYP26A1
SCHEMBL8457129 0.78 CYP3A4 (0.57) CYP3A4RARARARBRARGCYP26A1
SCHEMBL2788640 0.77 CYP3A4 (0.70) CYP3A4RARARARBRARGCYP26A1
SCHEMBL16203106 0.75 TDP1 (0.55) NOTUM
SCHEMBL9183745 0.74 RARB (0.74) CYP3A4RARARARBRARGCYP26A1
SCHEMBL9188355 0.74 CYP3A4 (0.56) CYP3A4RARARARBRARGCYP26A1
SCHEMBL9186798 0.74 CYP3A4 (0.56) CYP3A4RARARARBRARGCYP26A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148245-B2 Biphenyl derivatives substituted with an aromatic or heteroaromatic radical, and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-12-12 US disclosed
US-20040030141-A1 Biphenyl derivatives substituted with an aromatic or heteroaromatic radical, and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT 2004-02-12 US disclosed
US-6649612-B1 Combating skin ageing and keratinization GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-11-18 US disclosed
US-6316009-B1 FOR THERAPY OF DERMATOLOGICAL COMPLAINTS ASSOCIATED WITH A KERATINIZATION DISORDER, AND FOR COMBATING AGEING OF THE SKIN GALDERMA RESEARCH & DEVELOPMENT (FR) 2001-11-13 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-20040030141-A1 Biphenyl derivatives substituted with an aromatic or heteroaromatic radical, and pharmaceutical and cosmetic compositions containing them AHR, TYR, CYP1A1 CYP3A4 42/4885RARA 24/4885RARB 26/4885

“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.