SCHEMBL1037280

SCHEMBL1037280

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.56
TSHR P16473 5/20 0.44
LMNA P02545 2/20 0.41
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL11346449 0.86 FAAH (0.56) FAAHTSHRHSD17B10ALDH1A1ALOX15
SCHEMBL1012855 0.85 LMNA (0.46) FAAHTSHRLMNAHSD17B10ALDH1A1
SCHEMBL7264660 0.84 FAAH (0.54) FAAHTSHRHSD17B10ALDH1A1ALOX15
SCHEMBL6602946 0.82 TSHR (0.44) FAAHTSHRLMNAHSD17B10ALDH1A1
SCHEMBL11154007 0.81 FAAH (0.65) FAAHTSHRCNR1CNR2EPHX2
SCHEMBL9668515 0.81 FAAH (0.51) FAAHTSHRCNR1CNR2
SCHEMBL136589 0.80
SCHEMBL229792 0.80 TSHR (0.50) TSHRLMNAHSD17B10ALDH1A1ALOX15
SCHEMBL9049144 0.79 FAAH (0.50) FAAHCNR1CNR2
SCHEMBL9045868 0.79 FAAH (0.50) FAAHTSHRHSD17B10ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053479-B Method for synthesizing quaternary amine inner salt 兆科药业(合肥)有限公司 2021-09-07 CN claimed
CN-105061338-A 3-methyl-quinoxaline-2-carboxylic acid chemical synthesis method based on ionic liquid system PINGYUAN WEIFENG YONGZHU TECHNOLOGY CO LTD 2015-11-18 CN claimed
US-4146724-A PROCESS FOR THE MANUFACTURE OF ISOPROPYL 4-METHYLIMIDAZOLE-5-CARBOXYLATE BASF AKTIENGESELLSCHAFT (DE) 1979-03-27 US claimed
CN-109053479-B Method for synthesizing quaternary amine inner salt 兆科药业(合肥)有限公司 2021-09-07 CN disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
US-4414400-A FROM 4-HALOACETOACETIC ESTER, CYCLIZING ETHER CLEAVAGE OF 4-TERT-BUTOXYACETOACETIC ESTER LONZA LTD. (CH) 1983-11-08 US disclosed
US-4374252-A Benzyl 5-methyl-4-imidazolecarboxylate SK&F LAB CO. (US) 1983-02-15 US disclosed
US-4328349-A Process for preparing 5-methyl-4-imidazolecarboxylic acid esters SK&F LAB CO. (US) 1982-05-04 US disclosed
EP-0049638-A1 Process for prepararing 5-methyl-4-imidazolecarboxylic acid esters SMITHKLINE BECKMAN CORPORATION (US) 1982-04-14 EP disclosed
US-4146724-A PROCESS FOR THE MANUFACTURE OF ISOPROPYL 4-METHYLIMIDAZOLE-5-CARBOXYLATE BASF AKTIENGESELLSCHAFT (DE) 1979-03-27 US disclosed
US-4146724-A PROCESS FOR THE MANUFACTURE OF ISOPROPYL 4-METHYLIMIDAZOLE-5-CARBOXYLATE BASF AKTIENGESELLSCHAFT (DE) 1979-03-27 US disclosed
US-4056551-A DIMERIZATION OF V-HALOACETOACETATE NIPPON GOHSEI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1977-11-01 US disclosed
US-4039570-A DISPERSING AGENTS LONZA LTD. (CH) 1977-08-02 US disclosed
US-4018821-A Process for the production of carnitine LONZA LTD. (CH) 1977-04-19 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 (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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 FAAH 2622/4885TSHR 1207/4885LMNA 4169/4885

“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.