SCHEMBL13097097

SCHEMBL13097097

CC(=O)OC1=C(c2c(C)cc(-n3cc(Cl)cn3)cc2C)C(=O)OC1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
STAT6 P42226 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL13097099 0.84 MAPT (0.38) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL12658294 0.77 KMT2A (0.33) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL9883898 0.72 ALDH1A1 (0.33) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL12270016 0.71 ALDH1A1 (0.37) ALDH1A1MAPTHPGDSMN1; SMN2L3MBTL1
SCHEMBL12622413 0.71 ALDH1A1 (0.32) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL14432150 0.70 ALDH1A1 (0.38) ALDH1A1HPGDHTTSMN1; SMN2NPSR1
SCHEMBL12702969 0.70 FPR1 (0.37) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL13097112 0.66 ALDH1A1 (0.34) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL13097325 0.63 ELANE (0.38) MAPTSMN1; SMN2L3MBTL1ELANEKDM4E
SCHEMBL16179742 0.63 KDM4E (0.30) ALDH1A1MAPTHPGDHTTKDM4E

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-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
US-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 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-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS CYP17A1, CCNY, CCNE2 ALDH1A1 2486/4885MAPT 4552/4885HPGD 116/4885

“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.