SCHEMBL2368552

SCHEMBL2368552

CCCCCCCCC#Cc1ccc2c(Cl)c(C#CCCCCCCCC)ccc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
MMP2 P08253 1/20 0.38
MMP12 P39900 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PGK1 P00558 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL12265782 0.94 KCNH2 (0.42) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL22748278 0.78 KCNH2 (0.49) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL28040894 0.77 KCNH2 (0.47) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL11240545 0.76 KCNH2 (0.50) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL11231181 0.76 KCNH2 (0.50) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL6371432 0.76 KCNH2 (0.58) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL1921661 0.74 KCNH2 (0.47) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL7572190 0.74 KCNH2 (0.47) KCNH2CYP3A4TSHRFFAR1FFAR4
SCHEMBL16424871 0.74 KCNH2 (0.46) KCNH2TSHRFFAR1FFAR4MMP2
SCHEMBL2233697 0.74 KCNH2 (0.46) KCNH2TSHRFFAR1FFAR4MMP2

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 7 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
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
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

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 KCNH2 782/4885CYP3A4 318/4885TSHR 1289/4885

“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.