SCHEMBL2235954

SCHEMBL2235954

Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccc(C(C)(C)C)cc3)C2[Si](C)(C)C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2ccc(C(C)(C)C)cc2)o1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2384989 0.90 SMO (0.32)
SCHEMBL2237164 0.90
SCHEMBL2384976 0.88 KIF11 (0.33) NPC1RAB9AALDH1A1
SCHEMBL17060109 0.87 NPC1 (0.31) NPC1RAB9AALDH1A1
SCHEMBL2236876 0.87
SCHEMBL2234262 0.86 PTGS1 (0.40) NPC1RAB9AKDM4EALDH1A1
SCHEMBL2235899 0.86 PTGS1 (0.42) NPC1RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL28670863 0.84
SCHEMBL3081243 0.84 S1PR1 (0.33) NPC1RAB9AALDH1A1
SCHEMBL2234973 0.84 GSK3B (0.37) NPC1RAB9AKDM4EALDH1A1

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-2360163-B1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN JAPAN POLYPROPYLENE CORP (JP) 2014-06-25 EP disclosed
US-8461365-B2 Metallocene complex and polymerization method of olefin JAPAN POLYPROPYLENE CORPORATION (JP) 2013-06-11 US disclosed
US-20110230622-A1 METALLOCENE COMPLEX AND POLYMERIZATION METHOD OF OLEFIN JAPAN POLYPROPYLENE CORPORATION (JP) 2011-09-22 US disclosed
EP-2360163-A1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN Japan Polypropylene Corporation (JP) 2011-08-24 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-20110230622-A1 METALLOCENE COMPLEX AND POLYMERIZATION METHOD OF OLEFIN ALOX12, ALOX15, ALOX15B NPC1 1170/4885RAB9A 4317/4885KDM4E 3839/4885

“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.