SCHEMBL25329401

SCHEMBL25329401

CCCCOc1cc(C)c(O)c(C)c1CC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.44
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TP53 P04637 1/20 0.36
ALOX5 P09917 5/20 0.36
RARB P10826 1/20 0.36
S1PR5 Q9H228 2/20 0.36
LTA4H P09960 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR5A1 Q13285 1/20 0.35

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
SCHEMBL25328611 0.92 PTGS1 (0.42) ESR1PTGS1PTGS2TP53ALOX5
SCHEMBL30356518 0.88 ESR1 (0.45) ESR1PTGS1PTGS2ALOX5RARB
SCHEMBL25328680 0.88 ESR1 (0.45) ESR1PTGS1PTGS2ALOX5RARB
SCHEMBL25328760 0.85 ESR1 (0.40) ESR1TP53ALOX5LTA4H
SCHEMBL30356497 0.84 TSHR (0.38) ESR1TP53
SCHEMBL689246 0.84 ESR1 (0.47) ESR1PTGS1PTGS2TP53ALOX5
SCHEMBL30367452 0.84 ESR1 (0.47) ESR1PTGS1PTGS2TP53ALOX5
SCHEMBL5588257 0.81 ESR1 (0.47) ESR1PTGS1PTGS2ALOX5RARB
SCHEMBL25329487 0.79 PTGS1 (0.43) ESR1PTGS1PTGS2TP53LTA4H
SCHEMBL25328938 0.79 PTGS1 (0.43) ESR1PTGS1PTGS2TP53ALOX5

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
CN-115697954-A Polymerization inhibitor 巴斯夫欧洲公司 2023-02-03 CN 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 ESR1 3959/4885PTGS1 474/4885PTGS2 594/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ESR1 2282/4885PTGS1 1/4885PTGS2 8/4885

“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.