SCHEMBL8996580

SCHEMBL8996580

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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 1.00 HCAR2 (0.40) HCAR2KEAP1NFE2L2SMN1; SMN2TSHR
SCHEMBL3066042 0.78 TSHR (0.42) TSHRCA12CA1CA2MMP1
SCHEMBL379871 0.78 TSHR (0.42) TSHRCA12CA1CA2MMP1
SCHEMBL1068890 0.78 SMN1; SMN2 (0.38) HCAR2KEAP1NFE2L2SMN1; SMN2TSHR
SCHEMBL1068891 0.78 SMN1; SMN2 (0.38) HCAR2KEAP1NFE2L2SMN1; SMN2TSHR
SCHEMBL2850895 0.77 MGAM (0.34) HCAR2KEAP1NFE2L2SMN1; SMN2TSHR
SCHEMBL11088300 0.77 CA2 (0.35) HCAR2KEAP1NFE2L2SMN1; SMN2TSHR
SCHEMBL1067402 0.77 SMN1; SMN2 (0.37) SMN1; SMN2TSHRCA1CA2ALDH1A1
SCHEMBL11088304 0.77 CA2 (0.35) HCAR2KEAP1NFE2L2SMN1; SMN2TSHR
SCHEMBL2850893 0.77 MGAM (0.34) HCAR2KEAP1NFE2L2SMN1; SMN2TSHR

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.