SCHEMBL8996514

SCHEMBL8996514

COC(=O)C=C(NC(C)C)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TSHR P16473 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL11683391 0.74 HCAR2 (0.40) HCAR2KEAP1NFE2L2TSHRCA12
SCHEMBL286129 0.74 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL286130 0.74 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL8996580 0.74 HCAR2 (0.40) HCAR2KEAP1NFE2L2TSHRCA12
SCHEMBL286132 0.74 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL25786307 0.73 TSHR (0.34) TSHRCA12CA1CA2MMP1
SCHEMBL28333073 0.72 HCAR2 (0.39) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL20930482 0.72 HCAR2 (0.44) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL27714989 0.70 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1
Hydrochloric Acid SCHEMBL27910123 0.68 HCAR2 (0.39) HCAR2KEAP1NFE2L2ALDH1A1

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 HCAR2 624/4885KEAP1 1090/4885NFE2L2 560/4885

“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.