SCHEMBL25329941

SCHEMBL25329941

CCc1c(C)c(O)cc(C)c1OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
ESR1 P03372 1/20 0.31
AR P10275 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP3A4 P08684 1/20 0.31
ACHE P22303 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
SCHEMBL25329927 0.88 TP53 (0.32) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL25330179 0.86 TP53 (0.31) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL25328994 0.85 ALOX15 (0.33) ALOX15ESR1ESR2
SCHEMBL25328225 0.80 CYP3A4 (0.42) ESR1ESR2CYP3A4ACHE
SCHEMBL25329808 0.80 ACHE (0.36) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL25329103 0.79 ALDH1A1 (0.42) CYP2D6CYP2C9ALOX15CYP2C19ESR1
SCHEMBL25329419 0.76 PTGS1 (0.36) ESR1CYP3A4ACHE
SCHEMBL25328780 0.76 SCN5A (0.32) ALOX15CYP3A4ACHE
SCHEMBL25329799 0.74 TP53 (0.30) TP53CYP2C9CYP2C19
SCHEMBL25327947 0.74

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 TP53 2223/4885CYP2D6 3350/4885CYP2C9 4119/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 TP53 4081/4885CYP2D6 1322/4885CYP2C9 1169/4885

“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.