SCHEMBL16748985

SCHEMBL16748985

CCC/C=C/CCCCC#N

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
HIF1A Q16665 4/20 0.39
EPAS1 Q99814 4/20 0.39
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNB2 Q08289 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL30002745 0.93 TSHR (0.55) TSHRHIF1AEPAS1FAAHTRPV1
SCHEMBL21441792 0.91 TSHR (0.46) TSHRFAAHTRPV1
SCHEMBL11852322 0.91 TSHR (0.59) TSHRHIF1AEPAS1FAAHTRPV1
SCHEMBL11852320 0.91 TSHR (0.59) TSHRHIF1AEPAS1FAAHTRPV1
SCHEMBL30099488 0.91 TSHR (0.59) TSHRHIF1AEPAS1FAAHTRPV1
SCHEMBL23341565 0.88 TSHR (0.56) TSHRHIF1AEPAS1FAAHTRPV1
SCHEMBL11437767 0.88 TSHR (0.56) TSHRHIF1AEPAS1FAAHTRPV1
SCHEMBL2594701 0.88 TSHR (0.56) TSHRFAAHTRPV1
SCHEMBL22296738 0.88 TSHR (0.56) TSHRFAAHTRPV1
SCHEMBL11853973 0.88 TSHR (0.56) TSHRFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296768-B2 Process for stabilizing hydrocyanation catalyst INVISTA NORTH AMERICA S.A R.L. (US) 2016-03-29 US disclosed
US-20150148556-A1 PROCESS FOR STABILIZING HYDROCYANATION CATALYST INVISTA NORTH AMERICA S.A R.L. (US) 2015-05-28 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-20150148556-A1 PROCESS FOR STABILIZING HYDROCYANATION CATALYST GNPAT, HPD, DHPS TSHR 4532/4885HIF1A 2407/4885EPAS1 2927/4885

“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.