SCHEMBL1144908

SCHEMBL1144908

CCC(C)C(=O)[O-].CCC(C)C(=O)[O-].[Ca+2]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
NFKB1 P19838 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CA2 P00918 2/20 0.39
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 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
SCHEMBL9128728 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
Lithium Ion SCHEMBL6832458 0.94
SCHEMBL15771695 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL8747822 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL2322447 0.94
SCHEMBL8660757 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL17512350 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL8386165 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL8660240 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1
SCHEMBL11318291 0.94 CA1 (0.52) CA1TSHRCYP3A4NFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120142528-A Method for simultaneously determining beta-hydroxy beta-methylbutyrate and amino acid in food 上海体育大学 2025-06-13 CN claimed
CN-119899005-A Environment-friendly dust collection limestone powder shield grouting material and environment-friendly preparation method thereof 济南市城建材料开发服务中心 2025-04-29 CN claimed
CN-119867154-A Milk for promoting calcium absorption and preparation method thereof 内蒙古蒙牛乳业(集团)股份有限公司 2025-04-25 CN claimed
CN-222670481-U Cooling device is used in production of calcium methylbutyrate 连云港盛和生物科技有限公司 2025-03-25 CN claimed
CN-119563768-A Application of beta-hydroxy-beta-methylbutyrate calcium in improving production performance of horses 新疆农业大学 2025-03-07 CN claimed
CN-118415357-B Protein composition effective in promoting protein intake 浙江衡美健康科技股份有限公司 2024-11-15 CN claimed
CN-118844586-A Method for improving surimi gel characteristics by utilizing beta-hydroxy-beta-calcium methylbutyrate 大连工业大学 2024-10-29 CN claimed
CN-116024846-B Preparation method of natural-color high-stiffness straw base paper 华邦古楼新材料有限公司 2024-08-09 CN claimed
CN-118415357-A Protein composition for promoting thickening of muscle fibers after strength training 浙江衡美健康科技股份有限公司 2024-08-02 CN claimed
CN-118191147-A Method for determining beta-hydroxy-beta-calcium methylbutyrate in milk and dairy products 杭州海关技术中心 2024-06-14 CN claimed
US-7789980-B2 Preparation of ammonium dinitroamide (ADN) crystals, ADN crystals and energetic composites containing them SNPE MATERIAUX ENERGETIQUES (FR) 2010-09-07 US claimed
US-20090176860-A1 ZOFENOPRIL CALCIUM GENERICS [UK] LIMITED (INCORPORATED IN THE UNITED KINGDOM) (GB) 2009-07-09 US claimed
US-20090090441-A1 Preparation of Ammonium Dinitroamide (ADN) Crystals, ADN Crystals and Energetic Composites Containing Them SNPE MATERIAUX ENERGETIQUES (FR) 2009-04-09 US claimed
EP-2041083-A1 ZOFENOPRIL CALCIUM Merck Generics (UK) Limited (GB) 2009-04-01 EP claimed
US-7495052-B2 Method for the production of polymerized nanoparticles and microparticles by ternary agent concentration and temperature alteration induced immiscibility BAUSCH & LOMB INCORPORATED (US) 2009-02-24 US claimed
WO-2007138352-A1 ZOFENOPRIL CALCIUM GENERICS (UK) LIMITED (GB) 2007-12-06 WO claimed
WO-2006137855-A2 METHOD FOR THE PRODUCTION OF POLYMERIZED NANOPARTICLES AND MICROPARTICLES BY TERNARY AGENT CONCENTRATION AND TEMPERATURE ALTERATION INDUCED IMMISCIBILITY BAUSCH & LOMB INCORPORATED (US) 2006-12-28 WO claimed
WO-2006137856-A2 METHOD FOR THE PRODUCTION OF NANOPARTICLES AND MICROPARTICLES BY TERNARY AGENT CONCENTRATION AND TEMPERATURE ALTERATION INDUCED IMMISCIBILITY BAUSCH & LOMB INCORPORATED (US) 2006-12-28 WO claimed
US-20060057215-A1 Method for the production of nanoparticles and microparticles by ternary agent concentration and temperature alteration induced immiscibility BAUSCH & LOMB INCORPORATED 2006-03-16 US claimed
US-20060057222-A1 Method for the production of polymerized nanoparticles and microparticles by ternary agent concentration and temperature alteration induced immiscibility BAUSCH & LOMB INCORPORATED 2006-03-16 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090176860-A1 ZOFENOPRIL CALCIUM CACNA1C, CA2, CACNA1S CA1 291/4885TSHR 4808/4885CYP3A4 892/4885

“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.