SCHEMBL5547017

SCHEMBL5547017

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
CYP2D6 P10635 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
APLNR P35414 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSK P43235 3/20 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
SCHEMBL7682664 0.81 ALDH1A1 (0.38) MAPK1USP2ALDH1A1MAPTHPGD
SCHEMBL6688426 0.81 DGAT1 (0.37) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL21935444 0.81 APLNR (0.31) APLNR
SCHEMBL494582 0.79 DGAT1 (0.41) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL27639930 0.79 HDAC3 (0.38) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL3228869 0.79 TSHR (0.46) DGAT1CA2CA12CA14MAPK1
SCHEMBL2173720 0.77 TSHR (0.42) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL16229307 0.77 DGAT1 (0.34) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL4158073 0.77 DGAT1 (0.34) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL13907508 0.77 APLNR (0.36) DGAT1CYP2D6HDAC3HDAC1HDAC2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4354855-A Motor fuel CHEVRON RESEARCH COMPANY (US) 1982-10-19 US claimed
US-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-11-09 US disclosed
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 US disclosed
CN-108026072-A Substituted oxopyridine derivatives 拜耳制药股份公司 2018-05-11 CN disclosed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-9284316-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2016-03-15 US disclosed
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-03-26 US disclosed
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2015-01-08 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
EP-1020451-B1 ANILIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2005-06-15 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 WO disclosed
US-6797717-B2 ACYL COENZYME A CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS KOWA COMPANY, LTD. (JP) 2004-09-28 US disclosed
US-20030087928-A1 Novel anilide compounds and drugs containing the same KOWA COMPANY, LTD., JAPAN 2003-05-08 US disclosed
US-20020099074-A1 Novel anilide compounds and drugs containing the same KOWA COMPANY, LTD.,JAPAN 2002-07-25 US disclosed
US-6362208-B1 ANTICHOLESTEROL AGENT KOWA COMPANY, LTD. (JP) 2002-03-26 US disclosed
EP-1020451-A1 NOVEL ANILIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-07-19 EP disclosed
US-4354855-A Motor fuel CHEVRON RESEARCH COMPANY (US) 1982-10-19 US disclosed
US-4354855-A Motor fuel CHEVRON RESEARCH COMPANY (US) 1982-10-19 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 (7 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-20030087928-A1 Novel anilide compounds and drugs containing the same ACAT1, ACAT2, LCAT DGAT1 75/4885CYP2D6 175/4885HDAC3 441/4885
US-20240018156-A1 SPIROCYCLIC COMPOUNDS CRBN, XIAP, RBX1 DGAT1 4308/4885CYP2D6 4425/4885HDAC3 1330/4885
US-20020099074-A1 Novel anilide compounds and drugs containing the same SOAT1, SOAT2, LCAT DGAT1 154/4885CYP2D6 130/4885HDAC3 476/4885
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA DGAT1 2225/4885CYP2D6 3385/4885HDAC3 2691/4885
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 DGAT1 4127/4885CYP2D6 2989/4885HDAC3 2828/4885
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation CRBN, CBL, STUB1 DGAT1 3439/4885CYP2D6 4725/4885HDAC3 2737/4885
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 DGAT1 2073/4885CYP2D6 1975/4885HDAC3 2403/4885

“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.