SCHEMBL31085264

SCHEMBL31085264

CC(O)c1ccc2c(c1)C(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.41
RXRB P28702 2/20 0.41
UGT2B7 P16662 1/20 0.39
RARB P10826 6/20 0.38
RARG P13631 6/20 0.38
RARA P10276 5/20 0.38
CYP26A1 O43174 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP26B1 Q9NR63 1/20 0.35
NOX1 Q9Y5S8 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KARS1 Q15046 2/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL8732926 0.90 RXRA (0.40) RXRARXRBUGT2B7RARBRARG
SCHEMBL9419032 0.88 RXRA (0.38) RXRARXRBUGT2B7RARBRARG
SCHEMBL31003100 0.88 RXRA (0.40) RXRARXRBUGT2B7RARBRARG
SCHEMBL9419052 0.87 UGT2B7 (0.35) RXRARXRBUGT2B7RARBRARG
SCHEMBL9770517 0.85 HPGD (0.41) RXRARXRBCYP3A4HTR2AHTR2C
SCHEMBL3541162 0.81 RXRA (0.58) RXRARXRBUGT2B7RARBRARG
SCHEMBL9770709 0.79 ALDH1A1 (0.40) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL9418950 0.79 RXRA (0.51) RXRARXRBUGT2B7RARBRARG
SCHEMBL29743366 0.78 RXRA (0.38) RXRARXRBRARBRARGRARA
Isopropylbenzene SCHEMBL11245662 0.78 RXRA (0.38) RXRARXRBCYP3A4KARS1CCNE1

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-20260125378-A2 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2026-05-07 US disclosed
EP-4658650-A1 HETEROCYCLIC COMPOUNDS Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250353846-A1 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2025-11-20 US disclosed
WO-2024160277-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2024-08-08 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 (2 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-20260125378-A2 Heterocyclic Compounds NFATC1, CD4, MALT1 RXRA 101/4885RXRB 57/4885UGT2B7 214/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 RXRA 446/4885RXRB 457/4885UGT2B7 1314/4885

“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.