SCHEMBL196453

SCHEMBL196453

C[Si](C)(c1ccccc1)c1ccc(Br)nc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.32
NFKB1 P19838 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
MAPT P10636 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
SCHEMBL196196 0.84 ESR1 (0.36) ESR1ESR2NR1H2NR1H3NPC1
SCHEMBL198141 0.79 ESR1 (0.54) ESR1ESR2NR1H2NR1H3HPGD
SCHEMBL197243 0.79 NPC1 (0.34) ESR1ESR2NPC1NFKB1RAB9A
SCHEMBL12191039 0.78 ESR1 (0.75) ESR1ESR2NR1H2NR1H3HPGD
SCHEMBL29935462 0.76 CHRNB2 (0.34) NR1H2NR1H3CHRNB2CHRNA4
SCHEMBL196394 0.76 CHRNB2 (0.34) NR1H2NR1H3CHRNB2CHRNA4
SCHEMBL15485716 0.76 ESR1 (0.60) ESR1ESR2NR1H2NR1H3HPGD
SCHEMBL63526 0.75 ESR1 (0.70) ESR1ESR2NR1H2NR1H3HPGD
Water SCHEMBL28099446 0.72 ESR1 (0.67) ESR1ESR2NR1H2NR1H3HPGD
SCHEMBL27473457 0.72 ESR1 (0.67) ESR1ESR2NR1H2NR1H3HPGD

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 8 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-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 ESR1 871/4885ESR2 1656/4885NR1H2 3025/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 ESR1 997/4885ESR2 1520/4885NR1H2 2937/4885
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 ESR1 265/4885ESR2 775/4885NR1H2 1353/4885

“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.