SCHEMBL25328567

SCHEMBL25328567

CCc1cc(OC(C)(C)C)c(C)c(CC)c1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 2/20 0.31
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
HSPA5 P11021 1/20 0.31
MAOA P21397 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL25329662 0.88 GABRA1 (0.34) GABRA1GABRB2SMN1; SMN2TP53CYP2C9
SCHEMBL25329202 0.88 GABRA1 (0.36) GABRA1GABRB2SMN1; SMN2TP53CYP2C9
SCHEMBL25329749 0.84 ESR1 (0.37) SMN1; SMN2TP53CYP2C9CYP2C19HIF1A
SCHEMBL30356482 0.80 FASN (0.45)
SCHEMBL25329935 0.79 KDM4E (0.39) GABRA1GABRB2SMN1; SMN2KDM4EALDH1A1
SCHEMBL25331617 0.76 ESR1 (0.36) SMN1; SMN2TP53CYP2C9CYP2C19HIF1A
SCHEMBL25328417 0.76 MAPT (0.42) SMN1; SMN2TP53KDM4EGAAALDH1A1
SCHEMBL25329540 0.76 ALDH1A1 (0.40) CYP2C9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL25329764 0.75 ESR1 (0.41) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28974999 0.73 CYP3A4 (0.40) SMN1; SMN2KDM4EHPGDHSD17B10

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 GABRA1 3598/4885GABRB2 2906/4885SMN1; SMN2 3698/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 GABRA1 1980/4885GABRB2 2597/4885SMN1; SMN2 3404/4885

“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.