SCHEMBL25329487

SCHEMBL25329487

CCCOc1cc(C)c(O)c(CC)c1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
ESR1 P03372 4/20 0.36
CSNK2A1 P68400 2/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
ATM Q13315 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 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
SCHEMBL25328680 0.91 ESR1 (0.45) PTGS1PTGS2ESR1LTA4H
SCHEMBL25328938 0.89 PTGS1 (0.43) PTGS1PTGS2MCOLN3TSHRSMN1; SMN2
SCHEMBL25328611 0.88 PTGS1 (0.42) PTGS1PTGS2MCOLN3TSHRSMN1; SMN2
SCHEMBL25328851 0.85 KDM4E (0.38) TSHRSMN1; SMN2ESR1MAPTKDM4E
SCHEMBL30356518 0.81 ESR1 (0.45) PTGS1PTGS2ESR1LTA4H
SCHEMBL25329721 0.79 ALOX5 (0.41) PTGS1PTGS2ESR1ESR2
SCHEMBL25329401 0.79 ESR1 (0.44) PTGS1PTGS2ESR1TP53LTA4H
SCHEMBL30356490 0.79 ALDH1A1 (0.37) TSHRSMN1; SMN2ESR1LMNAMAPT
SCHEMBL25329980 0.78 PTGS1 (0.45) PTGS1PTGS2MCOLN3TSHRSMN1; SMN2
SCHEMBL5588256 0.78 PTGS1 (0.45) PTGS1PTGS2MCOLN3TSHRSMN1; SMN2

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 PTGS1 474/4885PTGS2 594/4885MCOLN3 4218/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 PTGS1 1/4885PTGS2 8/4885MCOLN3 3645/4885

“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.