SCHEMBL25329927

SCHEMBL25329927

CCc1c(O)cc(C)c(OC(C)(C)C)c1CC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.32
ALOX15 P16050 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESR1 P03372 2/20 0.32
AR P10275 2/20 0.32
ESR2 Q92731 2/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL25330179 0.88 TP53 (0.31) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL25329941 0.88 TP53 (0.31) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL25330751 0.79 TDP1 (0.40) MAPK1NPC1HPGDHTTRAB9A
SCHEMBL25329233 0.78 MAPT (0.43) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL25331674 0.76 ALOX15 (0.33) ALOX15ESR1ESR2MAPK1NPC1
SCHEMBL25331290 0.75 NPC1 (0.32) ALOX15MAPK1NPC1HPGDHTT
SCHEMBL25329825 0.75 PTGS1 (0.36) ESR1MAPK1NPC1HPGDHTT
SCHEMBL25329808 0.73 ACHE (0.36) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL25330267 0.72 GABRA1 (0.30)
SCHEMBL25328824 0.72

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 2223/4885ALOX15 2186/4885CYP2D6 3350/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 TP53 4081/4885ALOX15 615/4885CYP2D6 1322/4885

“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.