SCHEMBL986310

SCHEMBL986310

Cc1ccc(C[Si](C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.61
IDO1 P14902 3/20 0.48
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
AGXT P21549 2/20 0.42
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CHRM2 P08172 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL3949041 0.88 ESR1 (0.74) ESR1IDO1ALDH1A1HTT
SCHEMBL8028955 0.79 ESR1 (0.44) ESR1IDO1ACHETDP1CYP1A2
SCHEMBL31366860 0.79 IDO1 (0.44) ESR1IDO1ACHETDP1CYP1A2
SCHEMBL6508803 0.79 ESR1 (0.46) ESR1TDP1AGXTCHRM2CA1
Boric Acid SCHEMBL29504203 0.78 ESR1 (0.68) ESR1CA1CA2
SCHEMBL7333275 0.77 IDO1 (0.42) ESR1IDO1ACHETDP1CYP1A2
SCHEMBL10249515 0.77 AGXT (0.43) ESR1IDO1ACHETDP1CYP1A2
SCHEMBL25167216 0.76 AURKA (0.52) ESR1CYP2A6CYP11B1CYP11B2TP53
SCHEMBL18694997 0.76 ESR1 (0.58) ESR1
SCHEMBL3161052 0.76 IDO1 (0.46) ESR1IDO1ACHETDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-06 US disclosed
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-06 US disclosed
US-10647899-B2 Heat-curable fluoropolyether-based adhesive composition and electric/electronic component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-05-12 US disclosed
EP-2139846-B1 NEW DIAMINE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2016-09-07 EP disclosed
EP-2275427-B1 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO PERFUMERY CO LTD (JP) 2013-09-11 EP disclosed
US-8404879-B2 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-03-26 US disclosed
EP-2258707-B1 Ruthenium silyl-arene complexes, and method for production thereof TAKASAGO PERFUMERY CO LTD (JP) 2013-03-06 EP disclosed
US-8258251-B2 Highly porous ceramic oxide aerogels having improved flexibility THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2012-09-04 US disclosed
US-7880025-B2 complexing trimethyl(4-methyl-1,4-cyclohexadienyl)silane with ruthenium chloride to produce RuCl2 [trimethyl (4-methyl-1,4-cyclohexadienyl) silane] TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-01 US disclosed
EP-2275427-A1 Ruthenium-diamine complex and methods for producing optically active compounds Takasago International Corporation (JP) 2011-01-19 EP disclosed
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-01-13 US disclosed
EP-2258707-A1 Ruthenium silyl-arene complexes, and method for production thereof Takasago International Corporation (JP) 2010-12-08 EP disclosed
US-20100298588-A1 RUTHENIUM SILYL-ARENE COMPLEX , AND METHOD FOR PRODUCTION THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-11-25 US disclosed
US-20100292428-A1 Highly Porous Ceramic Oxide Aerogels Having Improved Flexibility OHIO AEROSPACE INSTITUTE (US) 2010-11-18 US disclosed
US-5082959-A Oxidation of alkyl groups substituted on a trialkylsilyl-substituted aromatic ring using oxygen gas and a cobalt and/or manganese compound and a bromide as catalyts AMOCO CORPORATION (US) 1992-01-21 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 (4 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-20100298588-A1 RUTHENIUM SILYL-ARENE COMPLEX , AND METHOD FOR PRODUCTION THEREOF SPR, LSS, SRI ESR1 1548/4885IDO1 1464/4885ACHE 2571/4885
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OTC, OCIAD1 ESR1 465/4885IDO1 2455/4885ACHE 347/4885
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH5, AOC1, ADH1A ESR1 1897/4885IDO1 1752/4885ACHE 113/4885
US-20100292428-A1 Highly Porous Ceramic Oxide Aerogels Having Improved Flexibility PARG, ILK, LPO ESR1 1879/4885IDO1 4287/4885ACHE 2503/4885

“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.