SCHEMBL8996029

SCHEMBL8996029

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
EPHX2 P34913 2/20 0.46
TGM2 P21980 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
FPR2 P25090 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 1/20 0.42
KIF11 P52732 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL3196296 0.85 ALDH1A1 (0.50) ALDH1A1EPHX2TGM2MEN1KMT2A
SCHEMBL3196309 0.85 ALDH1A1 (0.50) ALDH1A1EPHX2TGM2MEN1KMT2A
SCHEMBL3208946 0.77 ALDH1A1 (0.70) ALDH1A1EPHX2TGM2MEN1KMT2A
SCHEMBL3208939 0.77 ALDH1A1 (0.70) ALDH1A1EPHX2TGM2MEN1KMT2A
SCHEMBL8996026 0.75 MAPT (0.54) ALDH1A1EPHX2TGM2MEN1KMT2A
SCHEMBL8342632 0.71 MAPT (0.57) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL3266893 0.71 CA12 (0.46) EPHX2TGM2MEN1KMT2ALMNA
SCHEMBL3266891 0.71 CA12 (0.46) EPHX2TGM2MEN1KMT2ALMNA
SCHEMBL8996064 0.71 CA12 (0.46) EPHX2TGM2MEN1KMT2ALMNA
SCHEMBL10003973 0.71 EPHX2 (0.53) ALDH1A1EPHX2TGM2MEN1KMT2A

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 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.