SCHEMBL752649

SCHEMBL752649

C[Si](C)(Cc1ccccc1)[N-][Si](C)(C)Cc1ccccc1.[Na+]

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.42
▸ CALM1 P0DP23 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ TSHR P16473 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAOA P21397 1/20 0.34

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
Potassium Ion SCHEMBL752477 0.95 TP53 (0.42) TP53CALM1NR1H2NR1H3TSHR
Lithium Ion SCHEMBL751524 0.95 TP53 (0.42) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL816643 0.95 TP53 (0.42) TP53CALM1NR1H2NR1H3TSHR
Lithium Ion SCHEMBL6861281 0.81 TP53 (0.39) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL16378246 0.76 TP53 (0.48) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL231005 0.76 ESR1 (0.56) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL1107767 0.76 TP53 (0.48) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL749370 0.75 TP53 (0.42) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL751758 0.73 TAAR1 (0.39) TP53CALM1TSHRALDH1A1TRPA1
SCHEMBL9224737 0.72 TP53 (0.43) TP53CALM1NR1H2NR1H3TSHR

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-10611775-B2 Thiophene derivatives TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2020-04-07 — — US disclosed
US-20190322684-A1 THIOPHENE DERIVATIVES TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2019-10-24 — — US disclosed
US-10385062-B2 Thiophene derivatives TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2019-08-20 — — US disclosed
US-20170197982-A1 THIOPHENE DERIVATIVES GANZHOU HEMAY PHARMACEUTICAL CO., LTD. (CN) 2017-07-13 — — US disclosed
US-9630975-B2 Thiophene derivatives TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2017-04-25 — — US disclosed
US-8952178-B2 Thiophene derivatives TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2015-02-10 — — US disclosed
US-20140255342-A1 THIOPHENE DERIVATIVES TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2014-09-11 — — US disclosed
EP-2431371-B1 THIOPHENE DERIVATIVES TIANJIN HEMAY BIO TECH CO LTD (CN) 2013-10-09 — — EP disclosed
US-20120107269-A1 THIOPHENE DERIVATIVES Tianjin Hemay Biotech Co., Ltd (CN) 2012-05-03 — — US disclosed
US-8153545-B2 Process for homo—or copolymerization of conjugated olefins STYRON EUROPE GMBH (CH) 2012-04-10 — — US disclosed
EP-2431371-A1 THIOPHENE DERIVATIVES Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2012-03-21 — — EP disclosed
US-20110160041-A1 PROCESS FOR HOMO - OR COPOLYMERIZATION OF CONJUGATED OLEFINS STYRON EUROPE GMBH 2011-06-30 — — US disclosed
US-20100248947-A1 PROCESS FOR HOMO - OR COPOLYMERIZATION OF CONJUGATED OLEFINS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-09-30 — — US disclosed
US-7612009-B2 Process for homo-or copolymerization of conjugated olefines DOW GLOBAL TECHNOLOGIES, INC. (US) 2009-11-03 — — US disclosed
US-20060142145-A1 Process for homo-or copolymerization of conjugated olefines TRINSEO EUROPE GMBH (CH) 2006-06-29 — — 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 (8 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-20110160041-A1 PROCESS FOR HOMO - OR COPOLYMERIZATION OF CONJUGATED OLEFINS F12, ETFB, F2 TP53 4774/4885CALM1 4158/4885NR1H2 1603/4885
US-10385062-B2 Thiophene derivatives TSHR, RB1, TAS2R7 TP53 1696/4885CALM1 2734/4885NR1H2 377/4885
US-20120107269-A1 THIOPHENE DERIVATIVES TSHR, RB1, TAS2R7 TP53 1696/4885CALM1 2734/4885NR1H2 377/4885
US-10611775-B2 Thiophene derivatives TSHR, RB1, TAS2R7 TP53 1696/4885CALM1 2734/4885NR1H2 377/4885
US-20170197982-A1 THIOPHENE DERIVATIVES TSHR, RB1, TAS2R7 TP53 1696/4885CALM1 2734/4885NR1H2 377/4885
US-20060142145-A1 Process for homo-or copolymerization of conjugated olefines ETFB, F12, F2 TP53 4739/4885CALM1 4515/4885NR1H2 2295/4885
US-20140255342-A1 THIOPHENE DERIVATIVES TSHR, RB1, TAS2R7 TP53 1696/4885CALM1 2734/4885NR1H2 377/4885
US-20190322684-A1 THIOPHENE DERIVATIVES TSHR, RB1, TAS2R7 TP53 1696/4885CALM1 2734/4885NR1H2 377/4885

“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.

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