SCHEMBL25329779

SCHEMBL25329779

CCOc1c(C)cc(O)c(CC)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
ESR1 P03372 3/20 0.36
SCN5A Q14524 1/20 0.33
TSHR P16473 1/20 0.33
AR P10275 2/20 0.32
ESR2 Q92731 2/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
IMPDH2 P12268 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
CYP3A4 P08684 3/20 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
SCHEMBL25329233 0.87 MAPT (0.43) HPGDALDH1A1GAAKDM4EMAPT
SCHEMBL25329612 0.86 PTGS1 (0.36) HPGDALDH1A1GAAKDM4EMAPT
SCHEMBL25329103 0.85 ALDH1A1 (0.42) HPGDALDH1A1GAAKDM4EMAPT
SCHEMBL25329050 0.84 NPSR1 (0.41) HPGDALDH1A1KDM4EMAPTESR1
SCHEMBL30356479 0.84 ALOX15 (0.35) HPGDALDH1A1GAAKDM4EMAPT
SCHEMBL25328955 0.83 IMPDH2 (0.41) ALDH1A1MAPTESR1ESR2IMPDH2
SCHEMBL25329224 0.83 SCN5A (0.43) HPGDALDH1A1GAAKDM4EMAPT
SCHEMBL25328991 0.82 ALDH1A1 (0.45) HPGDALDH1A1GAAKDM4EMAPT
SCHEMBL25330179 0.79 TP53 (0.31) HPGDESR1ARESR2MAPK1
SCHEMBL25327700 0.79 SCN5A (0.32) HPGDSCN5AMAPK1NPSR1NPC1

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 HPGD 282/4885ALDH1A1 1314/4885GAA 180/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 HPGD 67/4885ALDH1A1 32/4885GAA 3196/4885

“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.