SCHEMBL20176295

SCHEMBL20176295

CNC(=O)/C=C/CN(CCO)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.39
SSTR4 P31391 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL20204100 0.81 SSTR4 (0.38) CA14SSTR4CHRNB2CHRNB4CHRNA3
SCHEMBL20173462 0.76 PDE1A (0.34) HDAC6
SCHEMBL503444 0.76 CA14 (0.53) CA14SSTR4CHRNB2CHRNB4CHRNA3
SCHEMBL20173477 0.76 SSTR4 (0.30) SSTR4
SCHEMBL15668049 0.75 SSTR4 (0.41) CA14SSTR4HDAC6
SCHEMBL20173488 0.75
SCHEMBL745378 0.74 CA14 (0.51) CA14SSTR4CHRNB2CHRNB4CHRNA3
SCHEMBL28584989 0.74 CA14 (0.51) CA14SSTR4CHRNB2CHRNB4CHRNA3
Alcohol SCHEMBL17363353 0.73 SSTR4 (0.40) CA14SSTR4HDAC6
SCHEMBL7936929 0.73 CA14 (0.42) CA14SSTR4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 CA14 2780/4885SSTR4 2377/4885CHRNB2 3654/4885

“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.