SCHEMBL25328611

SCHEMBL25328611

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
TP53 P04637 2/20 0.35
PPARG P37231 1/20 0.35
ESR1 P03372 3/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 6/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL25329401 0.92 ESR1 (0.44) PTGS1PTGS2TP53ESR1ALOX5
SCHEMBL25328938 0.88 PTGS1 (0.43) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL25329487 0.88 PTGS1 (0.43) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL30356497 0.86 TSHR (0.38) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25329985 0.85 MAPT (0.41) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL25329980 0.84 PTGS1 (0.45) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL5588256 0.80 PTGS1 (0.45) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL25331374 0.80 ALOX5 (0.40) PTGS1PTGS2MAPTALDH1A1ESR1
SCHEMBL25329015 0.80 ALDH1A1 (0.39) MAPTALDH1A1TP53ESR1ALOX5
SCHEMBL25328680 0.79 ESR1 (0.45) PTGS1PTGS2ESR1ALOX5

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 594/4885MAPT 1359/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 PTGS1 1/4885PTGS2 8/4885MAPT 2405/4885

“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.