SCHEMBL2617396

SCHEMBL2617396

CC(C)(C)[Si](CI)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.32
SLC6A2 P23975 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RIPK1 Q13546 1/20 0.31
ATM Q13315 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CACNA1F O60840 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL29967632 0.79 ALDH1A1 (0.32) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL14770816 0.79 TP53 (0.35) TAAR1SLC6A2ALDH1A1ATMESR1
SCHEMBL8056864 0.78 MAPT (0.33) TAAR1SLC6A2RIPK1
SCHEMBL8701181 0.77 CYP2C19 (0.38) TAAR1SLC6A2ALDH1A1HPGDALOX15
SCHEMBL2591855 0.77 TAAR1 (0.32) TAAR1SLC6A2ALDH1A1HPGDHSD17B10
SCHEMBL40797 0.77 TAAR1 (0.32) TAAR1SLC6A2ATMESR1ESR2
SCHEMBL28491406 0.76 MAPK1 (0.33) TAAR1SLC6A2ALDH1A1ALOX15ATM
SCHEMBL28549833 0.76 TAAR1 (0.31) TAAR1SLC6A2ATMESR1ESR2
SCHEMBL11899211 0.74 TAAR1 (0.30) TAAR1SLC6A2
SCHEMBL506540 0.74 NR1H2 (0.33) ALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067598-A1 CONSTRAINED LIPIDS AND METHODS OF USE THEREOF RENAGADE THERAPEUTICS MAN INC (US) 2024-02-29 US disclosed
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 US disclosed
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 US disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 US disclosed
US-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-05-04 US disclosed
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2018-06-14 US disclosed
US-20180065920-A1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS BANK OF AMERICA, N.A. 2018-03-08 US disclosed
US-20170368002-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2017-12-28 US disclosed
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, INC. 2017-08-17 US disclosed
US-9604908-B2 Diether based biodegradable cationic lipids for siRNA delivery SIMA THERAPEUTICS, INC. (US) 2017-03-28 US disclosed
US-9446132-B2 Diether based biodegradable cationic lipids for siRNA delivery SIMA THERAPEUTICS, INC. (US) 2016-09-20 US disclosed
US-9061063-B2 Biodegradable lipids for the delivery of active agents ALNYLAM PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20150057373-A1 DIETHER BASED BIODEGRADABLE CATIONIC LIPIDS FOR siRNA DELIVERY SIRNA THERAPEUTICS, INC (US) 2015-02-26 US disclosed
US-20130195920-A1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-02 US disclosed
US-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20100179309-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-07-15 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 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 (16 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-20170368002-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME PBK, NFATC1, UGCG TAAR1 3737/4885SLC6A2 4866/4885ALDH1A1 1769/4885
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 TAAR1 3466/4885SLC6A2 913/4885ALDH1A1 566/4885
US-20150057373-A1 DIETHER BASED BIODEGRADABLE CATIONIC LIPIDS FOR siRNA DELIVERY NR1H4, LDLR, LIPA TAAR1 2256/4885SLC6A2 2711/4885ALDH1A1 2864/4885
US-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM SGMS1, SGMS2, LIPC TAAR1 3193/4885SLC6A2 2358/4885ALDH1A1 3626/4885
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS FUS, SNRPE, RRBP1 TAAR1 4462/4885SLC6A2 3602/4885ALDH1A1 4793/4885
US-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 TAAR1 1012/4885SLC6A2 995/4885ALDH1A1 383/4885
US-20130195920-A1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, APOB, CETP TAAR1 3950/4885SLC6A2 1960/4885ALDH1A1 3151/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 TAAR1 4656/4885SLC6A2 3806/4885ALDH1A1 1977/4885
US-20100179309-A1 MODIFIED iRNA AGENTS HNRNPA0, HNRNPA1, SNRPA TAAR1 4533/4885SLC6A2 4291/4885ALDH1A1 2218/4885
US-20180065920-A1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, CETP, APOB TAAR1 3607/4885SLC6A2 1922/4885ALDH1A1 2749/4885
US-20240067598-A1 CONSTRAINED LIPIDS AND METHODS OF USE THEREOF SGMS1, SGMS2, LNPEP TAAR1 4335/4885SLC6A2 3870/4885ALDH1A1 4876/4885
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS TAAR1 4737/4885SLC6A2 3142/4885ALDH1A1 3727/4885
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B TAAR1 4484/4885SLC6A2 4616/4885ALDH1A1 2475/4885
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D TAAR1 582/4885SLC6A2 1631/4885ALDH1A1 1497/4885
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE1, WEE2 TAAR1 2971/4885SLC6A2 2629/4885ALDH1A1 4238/4885
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE2, WEE1 TAAR1 2105/4885SLC6A2 948/4885ALDH1A1 4697/4885

“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.