SCHEMBL31085141

SCHEMBL31085141

CC(O)c1ccc2c(c1)C(C)(C)CO2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
RARA P10276 3/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
ACACB O00763 1/20 0.40
RXRA P19793 3/20 0.40
UGT2B7 P16662 1/20 0.37
RXRB P28702 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
AOC3 Q16853 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
SCHEMBL5659590 1.00 NOTUM (0.44) NOTUMRARBRARGRARAPTGS1
SCHEMBL5656270 0.89 NOTUM (0.43) NOTUMRARBRARGRARAPTGS1
SCHEMBL12604316 0.86 NOTUM (0.47) NOTUMRARBRARGRARAPTGS1
SCHEMBL10408115 0.84 RARA (0.47) RARBRARGRARAPTGS1PTGS2
SCHEMBL24673929 0.83 NOTUM (0.44) NOTUMRARBRARGRARAPTGS1
SCHEMBL5656267 0.83 PTGS1 (0.42) NOTUMRARBRARGRARAPTGS1
SCHEMBL987763 0.80 RARB (0.41) NOTUMRARBRARGRARAPTGS1
SCHEMBL30134196 0.75 PTGS1 (0.40) PTGS1PTGS2UGT2B7AOC3
SCHEMBL30134081 0.75 PTGS1 (0.40) PTGS1PTGS2UGT2B7AOC3
SCHEMBL8982307 0.75 NOTUM (0.49) NOTUMRARBRARGRARAPTGS1

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 NOTUM 3448/4885RARB 325/4885RARG 326/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 NOTUM 3280/4885RARB 564/4885RARG 377/4885

“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.