SCHEMBL4775600

SCHEMBL4775600

CCCCCCCCc1sc(-c2cccs2)c(-c2cccs2)c1CCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 2/20 0.39
GPR35 Q9HC97 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
STAT6 P42226 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
GAPDH P04406 1/20 0.34
NR4A1 P22736 1/20 0.34

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
SCHEMBL5373030 1.00 KDM4E (0.39) KDM4EALDH1A1GAAGPR35NPC1
SCHEMBL5361361 1.00 KDM4E (0.39) KDM4EALDH1A1GAAGPR35NPC1
SCHEMBL1231111 0.96 KDM4E (0.37) KDM4EALDH1A1GAAGPR35NPC1
SCHEMBL4777219 0.89 KDM4E (0.38) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL4219592 0.87 KDM4E (0.32) KDM4EALDH1A1GAA
SCHEMBL12913178 0.82 KDM4E (0.44) KDM4EALDH1A1GAAGPR35NPC1
SCHEMBL5715244 0.82 KDM4E (0.44) KDM4EALDH1A1GAAGPR35NPC1
SCHEMBL30331131 0.81 KDM4E (0.36) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL1470712 0.80 KDM4E (0.42) KDM4EALDH1A1GAAGPR35NPC1
SCHEMBL2762298 0.78 KDM4E (0.36) KDM4EALDH1A1GAAGPR35HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815256-B2 Dithiophene compound, preparation and its application in organic photovoltaics thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-10-27 US disclosed
US-20190300554-A1 NOVEL DITHIOPHENE COMPOUND, PREPARATION AND ITS APPLICATION IN ORGANIC PHOTOVOLTAICS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-10-03 US disclosed
WO-2018069935-A1 NOVEL DITHIOPHENE COMPOUND, PREPARATION AND ITS APPLICATION IN ORGANIC PHOTOVOLTAICS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-19 WO disclosed
US-20080188670-A1 1,4-Dithienylbenzene Derivative NAT. INST. OF ADVANCED INDUSTRIAL SCI. AND TECH. (JP) 2008-08-07 US disclosed
EP-1943688-A1 LIQUID PHASE FABRICATION OF ACTIVE DEVICES INCLUDING ORGANIC SEMICONDUCTORS BASF SE (DE) 2008-07-16 EP disclosed
WO-2007039575-A1 LIQUID PHASE FABRICATION OF ACTIVE DEVICES INCLUDING ORGANIC SEMICONDUCTORS BASF SE (DE) 2007-04-12 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 (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-20080188670-A1 1,4-Dithienylbenzene Derivative SLC22A4, SLC19A2, SLC22A1 KDM4E 1985/4885ALDH1A1 890/4885GAA 4798/4885
US-20190300554-A1 NOVEL DITHIOPHENE COMPOUND, PREPARATION AND ITS APPLICATION IN ORGANIC PHOTOVOLTAICS THEREOF DDT, TST, DIMT1 KDM4E 472/4885ALDH1A1 2643/4885GAA 4849/4885
US-10815256-B2 Dithiophene compound, preparation and its application in organic photovoltaics thereof DDT, TST, DIMT1 KDM4E 677/4885ALDH1A1 2923/4885GAA 4852/4885

“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.