SCHEMBL25329709

SCHEMBL25329709

CCOc1cc(CC)c(O)c(CC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
NQO1 P15559 1/20 0.44
LTA4H P09960 1/20 0.42
PARP10 Q53GL7 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
RECQL P46063 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ADRA2A P08913 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL25328398 0.88 NQO1 (0.38) NQO1LTA4HPARP10CYP3A4KDM4E
SCHEMBL30356462 0.88 NQO1 (0.38) NQO1LTA4HPARP10CYP3A4KDM4E
SCHEMBL16245425 0.84 NQO1 (0.42) NQO1LTA4HPARP10CYP3A4KDM4E
SCHEMBL25338722 0.83 HSD17B10 (0.44) GABRA1GABRB2CYP1A2KDM4EALDH1A1
SCHEMBL25329716 0.83 LTA4H (0.46) GABRA1GABRB2LTA4HCYP2C9MEN1
SCHEMBL5017375 0.81 GABRA1 (0.48) GABRA1GABRB2LTA4HCYP1A2CYP3A4
SCHEMBL11053823 0.81 PRKCE (0.46) NQO1LTA4HCYP1A2CYP3A4KDM4E
SCHEMBL25329217 0.81 LTA4H (0.48) LTA4HALDH1A1MAPTMEN1KMT2A
SCHEMBL9191970 0.79 GABRA1 (0.39) GABRA1GABRB2CYP1A2CYP3A4CYP2C9
SCHEMBL25328657 0.79 GABRA1 (0.39) GABRA1GABRB2CYP1A2CYP3A4CYP2C9

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 4 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
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 GABRA1 3598/4885GABRB2 2906/4885NQO1 61/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 GABRA1 1980/4885GABRB2 2597/4885NQO1 944/4885

“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.