SCHEMBL31756435

SCHEMBL31756435

CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3F)ccc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.72
RARG P13631 15/20 0.72
RARA P10276 10/20 0.72
CYP26A1 O43174 3/20 0.72
CYP3A4 P08684 2/20 0.72
CRABP2 P29373 1/20 0.72
RXRA P19793 10/20 0.51
RXRB P28702 7/20 0.51
RXRG P48443 6/20 0.51
CYP26B1 Q9NR63 1/20 0.51

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
SCHEMBL22410909 1.00 RARB (0.72) RARBRARGRARACYP26A1CYP3A4
SCHEMBL24410760 0.87 RARG (0.57) RARBRARGRARACYP26A1CYP3A4
SCHEMBL24410724 0.85 RARB (0.72) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342976 0.84 CYP3A4 (0.65) RARBRARGRARACYP26A1CYP3A4
SCHEMBL3302926 0.84 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29353973 0.84 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL24410702 0.84 RXRA (0.60) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9713981 0.84 RARB (0.69) RARBRARGRARACYP26A1CYP3A4
SCHEMBL24410703 0.83 RXRA (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL20587536 0.81 RARB (0.77) RARBRARGRARACYP26A1CYP3A4

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-20260000631-A1 SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION UNIVERSITY OF DURHAM (GB) 2026-01-01 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-20260000631-A1 SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION RARB, RARA, RXRA RARB 1/4885RARG 5/4885RARA 2/4885

“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.