SCHEMBL6761013

SCHEMBL6761013

CC(C)(C)OC(=O)CC(C)(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
DGAT1 O75907 1/20 0.33
ACLY P53396 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL26000369 0.83 CYP2D6 (0.32) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL4831111 0.81 CYP2D6 (0.37) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL27485689 0.79 TSHR (0.36) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL9249667 0.79 ALDH1A1 (0.48) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL667170 0.78 TSHR (0.43) CYP2D6TSHRCYP2C19HIF1AACLY
SCHEMBL25842795 0.77 DGAT1 (0.50) CYP2D6TSHRDGAT1HDAC3HDAC1
SCHEMBL3798958 0.77 CYP2D6 (0.34) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL189917 0.77 GGT1 (0.41) CYP2D6TSHRCYP2C19HIF1ADGAT1
SCHEMBL4553890 0.77 DGAT1 (0.37) CYP2D6DGAT1HMGCRCHRM1TBXA2R
SCHEMBL28313432 0.76 TSHR (0.37) CYP2D6TSHRCYP2C19HIF1AACLY

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-11814406-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-11-14 US disclosed
US-11787825-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2023-10-17 US disclosed
US-20230203069-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
US-20230151043-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-05-18 US disclosed
US-9901571-B2 Tetrahydropyrazolopyridine derivatives as ghrelin receptor agonists RAQUALIA PHARMA INC. (JP) 2018-02-27 US disclosed
US-20170304277-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2017-10-26 US disclosed
US-20170197961-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2017-07-13 US disclosed
US-9227995-B2 Peptides Jacobsen, Øyvind (NO) 2016-01-05 US disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
US-9073830-B2 Compound for inhibiting 11β-hydroxy steroid dehydrogenase 1, and a pharmaceutical composition comprising the same HYUNDAI PHARM CO., LTD. (KR) 2015-07-07 US disclosed
US-9005815-B2 Negative active material for rechargeable lithium battery, method of preparing same, and rechargeable lithium battery SAMSUNG SDI CO., LTD. (KR) 2015-04-14 US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 US disclosed
US-20140206875-A1 A COMPOUND FOR INHIBITING 11B-HYDROXY STEROID DEHYDROGENASE 1, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2014-07-24 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-8653080-B2 Methods for screening and compounds that protect against amyloid diseases SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2014-02-18 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
US-20110263479-A1 Peptides UNIVERSITETET I OSLO (NO) 2011-10-27 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 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 (12 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 CYP2D6 2705/4885TSHR 4087/4885CYP2C19 3328/4885
US-20170304277-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GHSR, GHRHR, GIPR CYP2D6 2397/4885TSHR 27/4885CYP2C19 2485/4885
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FLT3, NPM1, ABL1 CYP2D6 4151/4885TSHR 3784/4885CYP2C19 1976/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 CYP2D6 1270/4885TSHR 4664/4885CYP2C19 2242/4885
US-20170197961-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GHSR, GHRHR, GIPR CYP2D6 4503/4885TSHR 31/4885CYP2C19 4368/4885
US-11814406-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, ACE CYP2D6 1594/4885TSHR 4452/4885CYP2C19 2652/4885
US-20140206875-A1 A COMPOUND FOR INHIBITING 11B-HYDROXY STEROID DEHYDROGENASE 1, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HSD11B1, HSD11B2, HSD17B1 CYP2D6 179/4885TSHR 4194/4885CYP2C19 87/4885
US-20110263479-A1 Peptides VIP, NGLY1, NPPA CYP2D6 4856/4885TSHR 811/4885CYP2C19 4790/4885
US-20230151043-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, ACE CYP2D6 1594/4885TSHR 4452/4885CYP2C19 2652/4885
US-11787825-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 CYP2D6 2283/4885TSHR 4874/4885CYP2C19 2952/4885
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 CYP2D6 645/4885TSHR 3079/4885CYP2C19 104/4885
US-20230203069-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 CYP2D6 2283/4885TSHR 4874/4885CYP2C19 2952/4885

“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.