SCHEMBL3208939

SCHEMBL3208939

COC(=O)/C=C(/C)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
EPHX2 P34913 1/20 0.54
TGM2 P21980 1/20 0.51
MAPT P10636 1/20 0.51
TRPV1 Q8NER1 3/20 0.49
KIF11 P52732 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
DHODH Q02127 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PTGS1 P23219 2/20 0.45

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
SCHEMBL3208946 1.00 ALDH1A1 (0.70) ALDH1A1EPHX2TGM2MAPTTRPV1
SCHEMBL11345591 0.87 MAPT (0.53) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL13377982 0.82 MAPT (0.67) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL2879006 0.82 MAPT (0.67) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL2879004 0.82 MAPT (0.67) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL12264384 0.82 SMN1; SMN2 (0.62) ALDH1A1TGM2MAPTNPC1RAB9A
SCHEMBL2547131 0.82 SMN1; SMN2 (0.62) ALDH1A1TGM2MAPTNPC1RAB9A
SCHEMBL3737334 0.82 MAPT (0.60) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL3737335 0.82 MAPT (0.60) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL13628941 0.82 MAPT (0.60) ALDH1A1MAPTNPC1RAB9AMEN1

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 749/4885TGM2 742/4885
US-20060122225-A1 Method for producing an optically active tetrahydroquinoline AADAT, KMO, ALDH7A1 ALDH1A1 390/4885EPHX2 749/4885TGM2 742/4885

“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.