SCHEMBL2591827

SCHEMBL2591827

C[Si](C)(Cl)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
NFKB1 P19838 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
MAPT P10636 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
TP53 P04637 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
SCHEMBL1459198 0.81 TSHR (0.32) ALDH1A1TSHRLMNAMAPT
SCHEMBL2102966 0.79 ALDH1A1 (0.38) ALDH1A1NFKB1CYP1A2CYP2D6TSHR
SCHEMBL3761218 0.79 ALDH1A1 (0.43) ALDH1A1NFKB1CYP1A2CYP2D6TSHR
SCHEMBL31168893 0.79 ALDH1A1 (0.43) ALDH1A1NFKB1CYP1A2CYP2D6TSHR
SCHEMBL9634396 0.75 ALDH1A1 (0.36) ALDH1A1NFKB1CYP1A2CYP2D6TSHR
SCHEMBL1302209 0.72 TSHR (0.45) ALDH1A1CYP1A2TSHRHSD17B10NPC1
SCHEMBL1798315 0.72 TSHR (0.45) ALDH1A1CYP1A2TSHRHSD11B1NPC1
SCHEMBL30030347 0.71 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL2586783 0.71 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL11564077 0.71 ALDH1A1 (0.37) ALDH1A1MAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102869662-B Organic electroluminescence device 默克专利有限公司 2016-08-03 CN disclosed
US-9139582-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
US-9139582-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
US-9139582-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
US-20130053555-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
US-20130053555-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
CN-102869662-A Organic electroluminescence devices MERCK PATENT GMBH 2013-01-09 CN disclosed
WO-2011137951-A1 ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 WO disclosed
EP-0363584-B1 Silylation method GEN ELECTRIC (US) 1994-09-14 EP disclosed
EP-0284873-B1 SILYLATION METHOD GENERAL ELECTRIC COMPANY (US) 1993-09-01 EP disclosed
EP-0363584-A2 Silylation method GENERAL ELECTRIC COMPANY (US) 1990-04-18 EP disclosed
US-4918197-A CATALYTIC REACTION BETWEEN AROMATIC ACYLHALIDE AND HALOGENATED POLYSILANE GENERAL ELECTRIC COMPANY (US) 1990-04-17 US disclosed
EP-0284873-A2 Silylation method GENERAL ELECTRIC COMPANY (US) 1988-10-05 EP disclosed
US-4709054-A REACTION OF AROMATIC ACYL HALIDE AND HALOGENATED POLYSILANE, TRANSITION METAL CATALYST GENERAL ELECTRIC COMPANY (US) 1987-11-24 US 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-20130053555-A1 ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, PIEZO1, OR10J3 ALDH1A1 183/4885NFKB1 3151/4885CYP1A2 1251/4885

“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.