SCHEMBL25328519

SCHEMBL25328519

COc1ccc(C(=O)OC(C)=CC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 8/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
MAOA P21397 2/20 0.46
LMNA P02545 2/20 0.46
MAOB P27338 2/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
F3 P13726 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NFE2L2 Q16236 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL25328510 1.00 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL25329332 0.93 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL25329337 0.93 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL25918185 0.87 MAOA (0.55) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL25328110 0.87 NPC1 (0.58) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL25328109 0.87 NPC1 (0.58) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL25331309 0.86 MAPT (0.61) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL25331306 0.86 MAPT (0.61) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL25330106 0.86 MAOB (0.56) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL25330111 0.86 MAOB (0.56) CYP1A2CYP3A4CYP2C19CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGXI NORMAL UNIVERSITY (CN) 2023-08-03 US 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 (1 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-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ACSL1, ACSL4, WEE1 CYP1A2 4402/4885CYP3A4 2592/4885CYP2C19 3595/4885

“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.