SCHEMBL50602

SCHEMBL50602

O=C(O)CC#CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
TSHR P16473 5/20 0.38
FFAR3 O14843 2/20 0.38
GLRA1 P23415 1/20 0.38
SLC6A9 P48067 1/20 0.38
OR51E2 Q9H255 1/20 0.38
SLC22A6 Q4U2R8 2/20 0.35
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 2/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC3 O15379 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
SCHEMBL413049 0.85 LMNA (0.35) LMNALDHASRRALKBH5SUCNR1
SCHEMBL6831031 0.84
SCHEMBL27857307 0.84
SCHEMBL3110359 0.84
SCHEMBL967913 0.84
SCHEMBL21848016 0.82 FFAR3 (0.33) FFAR3ALDH1A1
SCHEMBL14516825 0.80
SCHEMBL576726 0.80
SCHEMBL8497865 0.79
SCHEMBL970315 0.79

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 1158 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126090-A Impurity removal method for 5,6-trans impurities in calcitol bulk drug 正大制药(青岛)有限公司 2023-11-28 CN claimed
CN-113444041-B Method for synthesizing polysubstituted quinoline compound by photocatalysis 安徽理工大学 2023-10-03 CN claimed
EP-4183391-A1 PHARMACEUTICAL COMPOSITION AND USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2023-05-24 EP claimed
CN-115557888-A Method for preparing quinoline derivative by photocatalysis of N-aryl glycine ester 安徽理工大学 2023-01-03 CN claimed
CN-114149444-B Method for synthesizing 2,3,6,7-anthracene tetracarboxylic dianhydride 常州市阳光药业有限公司 2022-11-15 CN claimed
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN claimed
CN-108530243-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN claimed
CN-114149444-A Synthesis method of 2,3,6, 7-anthracene tetracarboxylic dianhydride 常州市阳光药业有限公司 2022-03-08 CN claimed
CN-108530244-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-02-11 CN claimed
CN-113956129-A Method for purifying limonene 福建桦智工程技术有限公司 2022-01-21 CN claimed
US-9382205-B2 Processes for the manufacture of a pharmaceutically active agent H. LUNDBECK A/S (DK) 2016-07-05 US claimed
US-20150080584-A1 PROCESSES FOR THE MANUFACTURE OF A PHARMACEUTICALLY ACTIVE AGENT H. LUNDBECK A/S (DK) 2015-03-19 US claimed
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US claimed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP claimed
CN-100502135-C Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2009-06-17 CN claimed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US claimed
CN-1961452-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2007-05-09 CN claimed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP claimed
US-7153816-B2 Dishwasher detergent with improved protection against glass corrosion HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-12-26 US claimed
US-20050075258-A1 Dishwasher detergent with improved protection against glass corrosion HENKEL AG & CO. KGAA (DE) 2005-04-07 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-20150080584-A1 PROCESSES FOR THE MANUFACTURE OF A PHARMACEUTICALLY ACTIVE AGENT CEL, DCPS, HPSE LMNA 3723/4885LDHA 1224/4885SRR 1117/4885

“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.