SCHEMBL3196296

SCHEMBL3196296

CC/C(=C/C(=O)OC)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
EPHX2 P34913 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TGM2 P21980 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KIF11 P52732 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3196309 1.00 ALDH1A1 (0.50) ALDH1A1EPHX2MEN1KMT2ATGM2
SCHEMBL8996026 0.89 MAPT (0.54) ALDH1A1EPHX2MEN1KMT2ATGM2
SCHEMBL10003978 0.85 EPHX2 (0.53) ALDH1A1EPHX2MEN1KMT2ATGM2
SCHEMBL10003973 0.85 EPHX2 (0.53) ALDH1A1EPHX2MEN1KMT2ATGM2
SCHEMBL10003976 0.85 EPHX2 (0.53) ALDH1A1EPHX2MEN1KMT2ATGM2
SCHEMBL8996029 0.85 ALDH1A1 (0.47) ALDH1A1EPHX2MEN1KMT2ATGM2
SCHEMBL8996507 0.84 KIF11 (0.53) ALDH1A1EPHX2MEN1KMT2ATGM2
SCHEMBL8996524 0.84 TGM2 (0.47) ALDH1A1EPHX2MEN1KMT2ATGM2
SCHEMBL3198294 0.84 MAPT (0.63) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL14969772 0.84 MAPT (0.63) ALDH1A1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 EP disclosed
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
US-20060122225-A1 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-06-08 US disclosed
EP-1594843-A2 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE Takasago International Corporation (JP) 2005-11-16 EP disclosed
WO-2004074255-A2 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-09-02 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 (2 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 ALDH1A1 390/4885EPHX2 749/4885MEN1 1376/4885
US-20060122225-A1 Method for producing an optically active tetrahydroquinoline AADAT, KMO, ALDH7A1 ALDH1A1 390/4885EPHX2 749/4885MEN1 1376/4885

“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.