SCHEMBL25331306

SCHEMBL25331306

COc1ccc(C(=O)O/C(C)=C/C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
RAB9A P51151 6/20 0.61
NPC1 O15118 6/20 0.61
ALDH1A1 P00352 5/20 0.61
MAOA P21397 2/20 0.56
MAOB P27338 1/20 0.56
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL25331309 1.00 MAPT (0.61) MAPTRAB9ANPC1ALDH1A1MAOA
SCHEMBL25329337 0.93 CYP1A2 (0.59) MAPTRAB9ANPC1ALDH1A1MAOA
SCHEMBL25329332 0.93 CYP1A2 (0.59) MAPTRAB9ANPC1ALDH1A1MAOA
SCHEMBL25918185 0.87 MAOA (0.55) MAPTRAB9ANPC1ALDH1A1MAOA
SCHEMBL25328110 0.87 NPC1 (0.58) MAPTRAB9ANPC1ALDH1A1MAOB
SCHEMBL25328109 0.87 NPC1 (0.58) MAPTRAB9ANPC1ALDH1A1MAOB
SCHEMBL25328510 0.86 CYP1A2 (0.52) MAPTRAB9ANPC1ALDH1A1MAOA
SCHEMBL25330111 0.86 MAOB (0.56) MAPTRAB9ANPC1ALDH1A1MAOA
SCHEMBL25328519 0.86 CYP1A2 (0.52) MAPTRAB9ANPC1ALDH1A1MAOA
SCHEMBL25330106 0.86 MAOB (0.56) MAPTRAB9ANPC1ALDH1A1MAOA

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-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
US-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGXI NORMAL UNIVERSITY (CN) 2023-08-03 US disclosed
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 MAPT 3254/4885RAB9A 4151/4885NPC1 3372/4885

“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.