SCHEMBL8996507

SCHEMBL8996507

CCC(=CC(N)=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.53
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TGM2 P21980 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
PTGS1 P23219 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL10003978 0.87 EPHX2 (0.53) KIF11EPHX2ALDH1A1MEN1KMT2A
SCHEMBL10003976 0.87 EPHX2 (0.53) KIF11EPHX2ALDH1A1MEN1KMT2A
SCHEMBL10003973 0.87 EPHX2 (0.53) KIF11EPHX2ALDH1A1MEN1KMT2A
SCHEMBL3196296 0.84 ALDH1A1 (0.50) KIF11EPHX2ALDH1A1MEN1KMT2A
SCHEMBL3196309 0.84 ALDH1A1 (0.50) KIF11EPHX2ALDH1A1MEN1KMT2A
SCHEMBL8996026 0.82 MAPT (0.54) KIF11EPHX2ALDH1A1MEN1KMT2A
SCHEMBL3872084 0.82 MEN1 (0.48) KIF11EPHX2ALDH1A1MEN1KMT2A
SCHEMBL3872087 0.82 MEN1 (0.48) KIF11EPHX2ALDH1A1MEN1KMT2A
SCHEMBL8996524 0.80 TGM2 (0.47) KIF11EPHX2ALDH1A1MEN1KMT2A
SCHEMBL2056170 0.76 EPHX2 (0.63) KIF11EPHX2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 US disclosed
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 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-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 KIF11 2810/4885EPHX2 749/4885ALDH1A1 390/4885

“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.