SCHEMBL7754790

SCHEMBL7754790

CCCCCCC(C#N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
KCNH2 Q12809 2/20 0.41
CSNK1E P49674 1/20 0.41
CCR1 P32246 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
NAAA Q02083 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38
HRH1 P35367 1/20 0.38
ASAH1 Q13510 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CYP19A1 P11511 2/20 0.37

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
SCHEMBL7309655 1.00 HTR2A (0.41) HTR2AKCNH2CSNK1ECCR1ALDH1A1
SCHEMBL28686925 1.00 HTR2A (0.41) HTR2AKCNH2CSNK1ECCR1ALDH1A1
SCHEMBL28978060 1.00 HTR2A (0.41) HTR2AKCNH2CSNK1ECCR1ALDH1A1
SCHEMBL1310360 0.98 CCR1 (0.41) HTR2AKCNH2CSNK1ECCR1ALDH1A1
SCHEMBL1445763 0.93 CCR1 (0.42) HTR2AKCNH2CCR1ALDH1A1OPRM1
SCHEMBL953748 0.85 TRPA1 (0.43) HTR2ACCR1ALDH1A1SIGMAR1TRPA1
SCHEMBL7361321 0.85 SIGMAR1 (0.44) HTR2AKCNH2CCR1OPRM1OPRD1
SCHEMBL9447543 0.84 HTT (0.38) KCNH2CCR1ALDH1A1CYP19A1
SCHEMBL11151613 0.84 CCR1 (0.41) HTR2ACCR1ALDH1A1SIGMAR1TRPA1
SCHEMBL11856682 0.83 CCR1 (0.43) CCR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415306-A The preparation method of 2- cyclohexylidene -2- phenylacetonitrile and its odorous analogue 阿甘香气及精细化学有限公司 2019-03-01 CN disclosed
US-9102899-B2 Organic compounds GIVAUDAN SA (CH) 2015-08-11 US disclosed
US-9102899-B2 Organic compounds GIVAUDAN SA (CH) 2015-08-11 US disclosed
US-20080306170-A1 Organic Compounds GIVAUDAN SA (CH) 2008-12-11 US disclosed
US-20080306170-A1 Organic Compounds GIVAUDAN SA (CH) 2008-12-11 US disclosed
WO-2001046748-A1 CHOLESTERIC LIQUID CRYSTAL DISPLAY THAT PREVENTS IMAGE STICKING KENT DISPLAYS INCORPORATED (US) 2001-06-28 WO disclosed
EP-0996697-A4 LOW VISCOSITY LIQUID CRYSTAL MATERIAL KENT DISPLAYS INC (US) 2000-09-13 EP disclosed
CN-1257532-A Low viscosity liquid crystal material KENT DISPLAYS INC (US) 2000-06-21 CN disclosed
EP-0996697-A1 LOW VISCOSITY LIQUID CRYSTAL MATERIAL Kent Displays Incorporated (US) 2000-05-03 EP disclosed
WO-1998053028-A1 LOW VISCOSITY LIQUID CRYSTAL MATERIAL KENT DISPLAYS INCORPORATED (US) 1998-11-26 WO 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-20080306170-A1 Organic Compounds PNN, TRPA1, PAOX HTR2A 600/4885KCNH2 1290/4885CSNK1E 3755/4885

“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.