SCHEMBL25328110

SCHEMBL25328110

COc1ccc(C(=O)OC(C)=CC(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.58
MAPT P10636 7/20 0.58
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
CDK5 Q00535 2/20 0.54
CDK5R1 Q15078 2/20 0.54
PKM P14618 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HSPD1 P10809 1/20 0.52
TNFRSF1A P19438 1/20 0.52
MAOB P27338 1/20 0.52
HSPE1 P61604 1/20 0.52
CYP1B1 Q16678 1/20 0.52

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
SCHEMBL25328109 1.00 NPC1 (0.58) NPC1MAPTRAB9ASMN1; SMN2CES2
SCHEMBL25329337 0.94 CYP1A2 (0.59) NPC1MAPTRAB9ASMN1; SMN2CES2
SCHEMBL25329332 0.94 CYP1A2 (0.59) NPC1MAPTRAB9ASMN1; SMN2CES2
SCHEMBL25918185 0.88 MAOA (0.55) NPC1MAPTRAB9ASMN1; SMN2CYP3A4
SCHEMBL25328519 0.87 CYP1A2 (0.52) NPC1MAPTRAB9ASMN1; SMN2CES2
SCHEMBL25330106 0.87 MAOB (0.56) NPC1MAPTRAB9ASMN1; SMN2CYP3A4
SCHEMBL25331306 0.87 MAPT (0.61) NPC1MAPTRAB9ASMN1; SMN2CYP3A4
SCHEMBL25330111 0.87 MAOB (0.56) NPC1MAPTRAB9ASMN1; SMN2CYP3A4
SCHEMBL25328510 0.87 CYP1A2 (0.52) NPC1MAPTRAB9ASMN1; SMN2CES2
SCHEMBL25331309 0.87 MAPT (0.61) NPC1MAPTRAB9ASMN1; SMN2CYP3A4

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 NPC1 3372/4885MAPT 3254/4885RAB9A 4151/4885

“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.