SCHEMBL2173736

SCHEMBL2173736

C[SiH](C)c1ccccc1C#Cc1ccc(C#Cc2ccccc2[SiH](C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APP P05067 1/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
RAB9A P51151 1/20 0.36
CHAT P28329 1/20 0.36
CASP3 P42574 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
SCHEMBL28666492 0.94 NPC1 (0.50) MAPTNPC1CYP1A2KDM4EMEN1
SCHEMBL3283370 0.91 KDM4E (0.33) MAPTNPC1CYP1A2KDM4EMEN1
SCHEMBL2173175 0.82 TSHR (0.30)
SCHEMBL2173547 0.77 APP (0.50) MAPTNPC1CYP1A2KDM4EMEN1
SCHEMBL2204079 0.73 HDAC8 (0.31)
SCHEMBL6564250 0.72 ALDH1A1 (0.46) MAPTNPC1CYP1A2KDM4EMEN1
SCHEMBL148575 0.69 TSHR (0.35) CYP1A2ALDH1A1CA12CA2CA9
SCHEMBL21936342 0.69 TSHR (0.35) CYP1A2ALDH1A1CA12CA2CA9
SCHEMBL6562841 0.69 NPC1 (0.42) MAPTNPC1CYP1A2KDM4EMEN1
SCHEMBL15469239 0.68 APP (0.57) MAPTNPC1CYP1A2KDM4EMEN1

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 MAPT 3419/4885NPC1 646/4885CYP1A2 3165/4885

“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.