SCHEMBL197243

SCHEMBL197243

Brc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
NFKB1 P19838 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
FDFT1 P37268 1/20 0.30
TRPV6 Q9H1D0 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
SCHEMBL196453 0.79 ESR1 (0.50) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL196196 0.79 ESR1 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL193465 0.77 CCR1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL13766240 0.76 ESR1 (0.35) ESR1ESR2
SCHEMBL15975758 0.75 ESR1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL15975757 0.75 ESR1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL103830 0.75 ESR1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL126319 0.75 ESR1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL12879524 0.75 ESR1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL23648699 0.74 ALDH1A1 (0.53) NPC1NFKB1RAB9ANFKB2RELA

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
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2017-02-23 US disclosed
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 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 (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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 NPC1 1871/4885NFKB1 195/4885RAB9A 392/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 NPC1 1945/4885NFKB1 413/4885RAB9A 206/4885
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 NPC1 3068/4885NFKB1 2715/4885RAB9A 3210/4885

“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.