SCHEMBL9610046

SCHEMBL9610046

[C-]#[N+]c1ccc(C#Cc2ccc(C#Cc3ccc(C#N)c(F)c3)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.42
CYP11B2 P19099 16/20 0.37
CYP11B1 P15538 15/20 0.37
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
EGLN2 Q96KS0 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
SCHEMBL9612005 0.85 TRPV4 (0.55) TRPV4CYP11B2CYP11B1
SCHEMBL22225479 0.78 TRPV4 (0.48) TRPV4CYP11B2CYP11B1FFAR1FFAR4
SCHEMBL12873266 0.78 GRM5 (0.34) FFAR1FFAR4
SCHEMBL9293782 0.77 CYP11B1 (0.50) TRPV4CYP11B2CYP11B1FFAR1FFAR4
SCHEMBL6864959 0.77 TRPV4 (0.47) TRPV4CYP11B2CYP11B1FFAR1FFAR4
SCHEMBL7851781 0.74 TRPV4 (0.45) TRPV4CYP11B2CYP11B1FFAR1FFAR4
SCHEMBL9293905 0.74 TRPV4 (0.45) TRPV4CYP11B2CYP11B1FFAR1FFAR4
SCHEMBL1797379 0.73 TRPV4 (0.59) TRPV4CYP11B2CYP11B1EGLN2
SCHEMBL13657794 0.73 CYP11B1 (0.53) TRPV4CYP11B2CYP11B1
SCHEMBL9293042 0.73 CYP2A6 (0.52) TRPV4CYP11B2CYP11B1FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169208-B2 Aromatic and aromatic/heteroaromatic molecular structures with controllable electron conducting properties E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-27 US disclosed
US-20120135249-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-31 US disclosed
US-20110024691-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-03 US disclosed
US-7638632-B2 4-Ethynyl (1,2-dicyanobenzene)-4'-Ethynylphenyl-1(4,5-dicyanobenzene); 1,4-Bis(4-pyridyl)butadiyne; 4-ethynyl(pyridine)-4'-ethynylnaphthalene-1-pyridine; self-assembled mono-, multilayers/ supramolecular objects; three-terminal devices; logic switches;nanoelectronic ; computers; wires; dielectrics E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-29 US disclosed
US-20090270627-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES FRENCH ROGER HARQUAIL 2009-10-29 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 (3 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-20120135249-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT TRPV4 67/4885CYP11B2 466/4885CYP11B1 622/4885
US-20110024691-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT TRPV4 67/4885CYP11B2 466/4885CYP11B1 622/4885
US-20090270627-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT TRPV4 67/4885CYP11B2 466/4885CYP11B1 622/4885

“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.