SCHEMBL4576607

SCHEMBL4576607

CCN(C(C)=O)c1ccc(-c2cc(-c3ccc(CCCBr)cc3)ccc2C(=O)O)cc1C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.60
RARA P10276 11/20 0.60
RARG P13631 11/20 0.60
MCL1 Q07820 1/20 0.38
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
LTB4R2 Q9NPC1 2/20 0.34
MPL P40238 1/20 0.33

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
SCHEMBL382145 0.79 RARB (0.49) RARBRARARARG
SCHEMBL382095 0.75 RARG (1.00) RARBRARARARG
SCHEMBL382094 0.71 RARG (1.00) RARBRARARARG
SCHEMBL382619 0.71 RARG (0.78) RARBRARARARG
SCHEMBL13196065 0.71 RARG (0.80) RARBRARARARG
SCHEMBL4576213 0.71 RARA (0.49) RARBRARARARG
SCHEMBL381579 0.70 RARG (1.00) RARBRARARARG
SCHEMBL4576451 0.69 RARG (0.69) RARBRARARARG
SCHEMBL381699 0.69 RARB (0.57) RARBRARARARG
SCHEMBL382994 0.68 RARA (0.51) RARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015246-A1 Novel ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-17 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-20080015246-A1 Novel ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof RARB, RARA, RARG RARB 1/4885RARA 2/4885RARG 3/4885

“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.