SCHEMBL9610055

SCHEMBL9610055

CC(=O)Sc1ccc(C#Cc2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
APP P05067 1/20 0.41
MEN1 O00255 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACACB O00763 4/20 0.40
GRM5 P41594 3/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TERT O14746 1/20 0.36
HAO1 Q9UJM8 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL13446219 0.90 HPGD (0.47) FFAR1APPMEN1CYP2C19KMT2A
SCHEMBL15694511 0.88 CES2 (0.42) MEN1CYP2C19KMT2AALDH1A1HPGD
SCHEMBL14345605 0.83 FFAR1 (0.47) FFAR1APPMEN1CYP2C19KMT2A
SCHEMBL12249833 0.83 MAPT (0.46) FFAR1MEN1CYP2C19KMT2AKDM4E
SCHEMBL10099654 0.81 CYP1A1 (0.41) FFAR1MEN1CYP2C19KMT2AKDM4E
SCHEMBL15743783 0.80 FFAR1 (0.46) FFAR1MEN1CYP2C19KMT2AKDM4E
SCHEMBL14367137 0.80 ACACB (0.46) FFAR1MEN1CYP2C19KMT2AKDM4E
SCHEMBL17617300 0.79 FFAR1 (0.41) FFAR1APPRAB9ASMN1; SMN2
SCHEMBL4258825 0.79 ALDH1A1 (0.46) FFAR1MEN1CYP2C19KMT2AKDM4E
SCHEMBL19520850 0.77 FFAR1 (0.37) FFAR1MEN1CYP2C19KMT2AKDM4E

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 FFAR1 4795/4885APP 1595/4885MEN1 4135/4885
US-20110024691-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT FFAR1 4795/4885APP 1595/4885MEN1 4135/4885
US-20090270627-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT FFAR1 4795/4885APP 1595/4885MEN1 4135/4885

“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.