SCHEMBL2173547

SCHEMBL2173547

C[SiH](C)c1cc(C#Cc2ccccc2)c([SiH](C)C)cc1C#Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
NPC1 O15118 5/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
HPGD P15428 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KCNH2 Q12809 1/20 0.39
RAB9A P51151 4/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
PTPN1 P18031 1/20 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
SCHEMBL28666492 0.83 NPC1 (0.50) APPNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2173736 0.77 MAPT (0.42) APPNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1195805 0.74 APP (0.71) APPNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5871989 0.71 APP (0.75) APPNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2114742 0.71 APP (0.75) APPNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15469239 0.71 APP (0.57) APPNPC1KDM4EALDH1A1SMN1; SMN2
Diphenylacetylene SCHEMBL960609 0.71 APP (1.00) APPNPC1KDM4EALDH1A1SMN1; SMN2
Diphenylacetylene SCHEMBL68254 0.71 APP (1.00) APPNPC1KDM4EALDH1A1SMN1; SMN2
Diphenylacetylene SCHEMBL29188592 0.71 APP (1.00) APPNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3283370 0.70 KDM4E (0.33) NPC1KDM4EALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1700860-B1 POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS, INTERMEDIATE THEREFOR, PROCESS FOR PRODUCING POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS, AND PROCESS FOR PRODUCING INTERMEDIATE FOR POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS JAPAN SCIENCE & TECH AGENCY (JP) 2011-07-27 EP disclosed
US-7973190-B2 Polycyclic fused ring type π-conjugated organic material, intermediate therefor, process for producing polycyclic fused ring type π-conjugated organic material, and process for producing intermediate of polycyclic fused ring type π-conjugated organic material JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-05 US disclosed
US-20090143605-A1 POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL, INTERMEDIATE THEREFOR, PROCESS FOR PRODUCING POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL, AND PROCESS FOR PRODUCING INTERMEDIATE OF POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-04 US disclosed
EP-1700860-A1 POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS, INTERMEDIATE THEREFOR, PROCESS FOR PRODUCING POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS, AND PROCESS FOR PRODUCING INTERMEDIATE FOR POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS Japan Science and Technology Agency (JP) 2006-09-13 EP 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-20090143605-A1 POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL, INTERMEDIATE THEREFOR, PROCESS FOR PRODUCING POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL, AND PROCESS FOR PRODUCING INTERMEDIATE OF POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL THEM6, RICTOR, FARSB APP 3938/4885NPC1 646/4885KDM4E 2555/4885

“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.