SCHEMBL2367683

SCHEMBL2367683

Clc1c(C#Cc2ccccc2)ccc2c(Cl)c(C#Cc3ccccc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ASIC3 Q9UHC3 2/20 0.42
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
RAB9A P51151 1/20 0.40
GRM5 P41594 3/20 0.39

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
SCHEMBL13371523 0.83 ASIC3 (0.37) APPMAPTNPC1CYP1A2CYP3A4
SCHEMBL8079828 0.80 APP (0.40) APPMAPTNPC1CYP1A2CYP3A4
SCHEMBL3801790 0.77 APP (0.63) APPMAPTNPC1CYP1A2CYP3A4
SCHEMBL7835738 0.74 NPC1 (0.47) APPMAPTNPC1CYP1A2CYP3A4
SCHEMBL28871613 0.74 ALDH1A1 (0.47) APPMAPTNPC1CYP1A2CYP3A4
SCHEMBL5871989 0.73 APP (0.75) APPMAPTNPC1CYP1A2CYP3A4
SCHEMBL2114742 0.73 APP (0.75) APPMAPTNPC1CYP1A2CYP3A4
SCHEMBL31279173 0.73 FFAR1 (0.57) APPMAPTNPC1CYP1A2CYP3A4
SCHEMBL1920654 0.73 FFAR1 (0.57) APPMAPTNPC1CYP1A2CYP3A4
Diphenylacetylene SCHEMBL960609 0.72 APP (1.00) APPMAPTNPC1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2368892-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE UNIV HIROSHIMA (JP) 2014-12-03 EP disclosed
EP-2368892-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE UNIV HIROSHIMA (JP) 2014-12-03 EP disclosed
US-8816100-B2 Compound, method of producing the compound, organic semiconductor material and organic semiconductor device HIROSHIMA UNIVERSITY (JP) 2014-08-26 US disclosed
US-8816100-B2 Compound, method of producing the compound, organic semiconductor material and organic semiconductor device HIROSHIMA UNIVERSITY (JP) 2014-08-26 US disclosed
US-8816100-B2 Compound, method of producing the compound, organic semiconductor material and organic semiconductor device HIROSHIMA UNIVERSITY (JP) 2014-08-26 US disclosed
US-20140051865-A1 DESCRIPTION NOVEL COMPUND, METHOD OF PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC SEMICONDUCTOR DEVICE HIROSHIMA UNIVERSITY (JP) 2014-02-20 US disclosed
US-20140051865-A1 DESCRIPTION NOVEL COMPUND, METHOD OF PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC SEMICONDUCTOR DEVICE HIROSHIMA UNIVERSITY (JP) 2014-02-20 US disclosed
US-20140051865-A1 DESCRIPTION NOVEL COMPUND, METHOD OF PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC SEMICONDUCTOR DEVICE HIROSHIMA UNIVERSITY (JP) 2014-02-20 US disclosed
EP-2368892-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE Hiroshima University (JP) 2011-09-28 EP disclosed
EP-2368892-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC SEMICONDUCTOR DEVICE Hiroshima University (JP) 2011-09-28 EP disclosed
US-20110224445-A1 Novel Compound, Method of Producing the Compound, Organic Semiconductor Material and Organic Semiconductor Device HIROSHIMA UNIVERSITY (JP) 2011-09-15 US disclosed
US-20110224445-A1 Novel Compound, Method of Producing the Compound, Organic Semiconductor Material and Organic Semiconductor Device HIROSHIMA UNIVERSITY (JP) 2011-09-15 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-20110224445-A1 Novel Compound, Method of Producing the Compound, Organic Semiconductor Material and Organic Semiconductor Device TST, SCLY, SELENOI APP 3375/4885MAPT 2625/4885NPC1 1834/4885

“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.