SCHEMBL18029151

SCHEMBL18029151

COc1cccc2c(CC(N)C(=O)O)c(C)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
HPGD P15428 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
THRB P10828 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 8/20 0.51
MAPT P10636 6/20 0.51
GAA P10253 4/20 0.51
TSHR P16473 3/20 0.51
POLB P06746 2/20 0.51
MCL1 Q07820 2/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX12 P18054 1/20 0.50
MAPK10 P53779 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NQO2 P16083 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
SCHEMBL19871249 0.84 MAPT (0.63) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL18029059 0.83 MAPT (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL19871258 0.83 KDM4E (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL32684017 0.82 MAPT (0.47) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL18029308 0.82 MAPT (0.47) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL32684014 0.82 OPRM1 (0.52) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL18029279 0.82 MAPT (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL19871254 0.82 OPRM1 (0.52) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL29255727 0.80 KDM4E (0.69) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL30854919 0.80 KDM4E (0.69) ALDH1A1MEN1KMT2AHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
WO-2019183358-A2 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 WO disclosed
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 US disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 WO 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-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 ALDH1A1 449/4885MEN1 4705/4885KMT2A 2741/4885

“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.