SCHEMBL25658490

SCHEMBL25658490

Cc1cc(=O)c2c(C)c(C)c(C)c(C)c2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 2/20 0.38
GAA P10253 2/20 0.38
ADORA1 P30542 2/20 0.37
CA1 P00915 1/20 0.37
LMNA P02545 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
LPO P22079 1/20 0.34
PTGS1 P23219 1/20 0.34
ADORA2A P29274 1/20 0.33
MAPT P10636 1/20 0.33
GPR35 Q9HC97 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL19821657 0.80 DAO (0.41) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL9389122 0.76 DAO (0.45) KDM4EALDH1A1HPGDMAPT
SCHEMBL32690180 0.72 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL21144481 0.68 HPGD (0.67) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL14079698 0.68 PARP1 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL21341793 0.67 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL13757238 0.67 GAA (0.37) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL12499526 0.67 RXFP1 (0.45) RXFP1
SCHEMBL10005933 0.67 HPGD (0.70) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL824616 0.65 PARP1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HTT

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-20230167065-A1 NOVEL INTERMEDIATES AND SYNTHESIS FOR ENDOCHIN-LIKE QUINOLONE COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-06-01 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-20230167065-A1 NOVEL INTERMEDIATES AND SYNTHESIS FOR ENDOCHIN-LIKE QUINOLONE COMPOUNDS GALE, ENGASE, EPHX1 KDM4E 2282/4885ALDH1A1 3471/4885HPGD 1286/4885

“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.