SCHEMBL25329653

SCHEMBL25329653

CCc1cc(OC)c(CC)c(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
HMGCR P04035 1/20 0.42
FASN P49327 1/20 0.41
IDO1 P14902 1/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX5 P09917 7/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
PKM P14618 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL30356482 0.87 FASN (0.45) TAAR1HMGCRFASNIDO1CYP3A4
SCHEMBL30356408 0.85 FASN (0.46) TAAR1HMGCRFASNCYP3A4ALOX5
SCHEMBL25329229 0.84 KDM4E (0.38) CYP3A4PDE3BPDE3A
SCHEMBL25331374 0.83 ALOX5 (0.40) HMGCRFASNIDO1CYP3A4ALOX5
SCHEMBL25330323 0.81 ALDH1A1 (0.36) TAAR1IDO1
SCHEMBL25329985 0.81 MAPT (0.41) PTGS1PTGS2PPARG
SCHEMBL25329662 0.81 GABRA1 (0.34)
SCHEMBL25328760 0.80 ESR1 (0.40) ALOX5
SCHEMBL28974999 0.80 CYP3A4 (0.40) TAAR1HMGCRFASNCYP3A4ALOX5
SCHEMBL25328347 0.78 CACNA1G (0.40) TAAR1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
US-20230242472-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-08-03 US disclosed
EP-4161892-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-04-12 EP 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-20230242472-A1 POLYMERIZATION INHIBITORS RCE1, CABLES1, DPYD TAAR1 4830/4885HMGCR 3769/4885FASN 1594/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 TAAR1 1832/4885HMGCR 130/4885FASN 643/4885

“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.