SCHEMBL25329316

SCHEMBL25329316

CC(=CC(=O)c1ccccc1)OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CYP1B1 Q16678 1/20 0.46
MAOB P27338 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 3/20 0.43
NFE2L2 Q16236 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL25329311 1.00 POLB (0.56) POLBGAACES2CES1CYP1B1
SCHEMBL25918174 0.88 MAOA (0.51) POLBGAACES2CES1MAOB
SCHEMBL25918116 0.86 NPC1 (0.49) POLBCES2CES1CYP1B1SMN1; SMN2
SCHEMBL25330111 0.85 MAOB (0.56) GAAMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL25330106 0.85 MAOB (0.56) GAAMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL25328109 0.84 NPC1 (0.58) POLBGAACES2CES1CYP1B1
SCHEMBL25328110 0.84 NPC1 (0.58) POLBGAACES2CES1CYP1B1
SCHEMBL247591 0.80 CES2 (0.65) CES2CES1CYP1B1MAOBSMN1; SMN2
SCHEMBL25327872 0.79 NFE2L2 (0.53) POLBGAACES2CES1CYP1B1
SCHEMBL25327868 0.79 NFE2L2 (0.53) POLBGAACES2CES1CYP1B1

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 2 patents. 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 claimed
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 POLB 2366/4885GAA 3123/4885CES2 3750/4885

“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.