SCHEMBL3512372

SCHEMBL3512372

CC(C)CC(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ELANE P08246 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 1/20 0.42
HIF1A Q16665 1/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6177060 0.83 GAA (0.53) GAAKMT2AALDH1A1ALOX15LMNA
SCHEMBL1532609 0.83 LMNA (0.53) GAAKMT2AALDH1A1ALOX15LMNA
SCHEMBL23318140 0.81 ALDH1A1 (0.47) GAAKMT2AALDH1A1ALOX15LMNA
SCHEMBL16443965 0.81 ALDH1A1 (0.47) GAAKMT2AALDH1A1ALOX15LMNA
SCHEMBL10518649 0.81 KMT2A (0.47) NPSR1KMT2AALDH1A1ALOX15LMNA
SCHEMBL666155 0.81 POLB (0.47) GAAKMT2AALDH1A1ALOX15LMNA
SCHEMBL8370146 0.80 OGG1 (0.50) KMT2AALDH1A1ALOX15MAPTRAB9A
SCHEMBL1665859 0.79 KMT2A (0.62) KMT2AALDH1A1ALOX15LMNAMAPT
SCHEMBL10879586 0.79 MAPT (0.50) NPSR1KMT2AALDH1A1ALOX15LMNA
SCHEMBL17938433 0.79 ALOX15 (0.62) GAAKMT2AALDH1A1ALOX15LMNA

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
CN-112341330-A Acidification reaction process and device for preparing 2-4- (chlorphenyl) -3-methylbutyryl chloride 安徽海顺化工有限公司 2021-02-09 CN claimed
EP-0370665-A2 Wood preservative and soil treatment composition TROY CHEMICAL CORPORATION (US) 1990-05-30 EP claimed
JP-56039049-A None JP disclosed
EP-3737663-B1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIV COURT UNIV ST ANDREWS (GB) 2023-02-22 EP disclosed
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-25 US disclosed
CN-112341330-A Acidification reaction process and device for preparing 2-4- (chlorphenyl) -3-methylbutyryl chloride 安徽海顺化工有限公司 2021-02-09 CN disclosed
CN-112341330-A Acidification reaction process and device for preparing 2-4- (chlorphenyl) -3-methylbutyryl chloride 安徽海顺化工有限公司 2021-02-09 CN disclosed
EP-3737663-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS University Court of The University of St Andrews (GB) 2020-11-18 EP disclosed
WO-2016077954-A1 BIOPESTICIDE COMPOSITIONS AND METHODS FOR THEIR PREPARATION AND USE EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-05-26 WO disclosed
CN-103039456-B Synergistic insecticidal composition containing tolfenpxrad and S-fenvalerate and application thereof NANJING HUAZHOU PHARMACEUTICAL 2014-12-17 CN disclosed
CN-103039456-A Synergistic insecticidal composition containing tolfenpxrad and S-fenvalerate and application thereof NANJING HUAZHOU PHARMACEUTICAL 2013-04-17 CN disclosed
US-4870100-A INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
EP-0304954-A2 Cyclic dipeptide enantiomers ICI AUSTRALIA LIMITED (AU) 1989-03-01 EP disclosed
US-4665174-A REACTION WITH NUCLEOPHILIC AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-12 US disclosed
US-4607119-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-08-19 US disclosed
US-4438275-A 2,2-DIFLUORO-BENZODIOXOLES BAYER AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
US-4391983-A Carboxamidoesters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-05 US disclosed
US-4316044-A Isovaleric acid derivatives NIPPON SODA COMPANY LIMITED (JP) 1982-02-16 US disclosed
JP-S5639049-A PHENYL ACETATE, ITS PREPARATION, INSECTICIDE, AND ACARICIDE NIPPON SODA CO LTD 1981-04-14 JP disclosed
US-4146554-A BY DEHYDRATION OF CORRESPONDING AMIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-03-27 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 (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-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A GAA 1156/4885NPSR1 4356/4885GPR55 4267/4885

“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.