SCHEMBL25329244

SCHEMBL25329244

CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.50
MDM4 O15151 2/20 0.50
TP53 P04637 2/20 0.50
PTPN1 P18031 3/20 0.48
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL25329241 1.00 CASP3 (0.50) CASP3MDM4TP53PTPN1MME
SCHEMBL30972557 1.00 CASP3 (0.50) CASP3MDM4TP53PTPN1MME
SCHEMBL20415092 0.99 CASP3 (0.49) CASP3MDM4TP53PTPN1
SCHEMBL12605223 0.93 ALDH1A1 (0.55) CASP3PTPN1
SCHEMBL30972555 0.90 CASP3 (0.49) CASP3PTPN1
SCHEMBL17431965 0.90 MDM4 (0.55) CASP3MDM4TP53PTPN1MME
SCHEMBL10049934 0.90 MDM4 (0.55) CASP3MDM4TP53PTPN1MME
SCHEMBL29483566 0.90 MDM4 (0.55) CASP3MDM4TP53PTPN1MME
SCHEMBL29432643 0.90 MDM4 (0.55) CASP3MDM4TP53PTPN1MME
SCHEMBL30688532 0.90 MDM4 (0.55) CASP3MDM4TP53PTPN1MME

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 CASP3 3706/4885MDM4 3883/4885TP53 3299/4885

“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.