SCHEMBL696970

SCHEMBL696970

[CH2]OC(=O)CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
EPHX1 P07099 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL704881 0.98 KMT2A (0.42) KMT2AEPHX1HPGDLMNAL3MBTL1
SCHEMBL697496 0.93
SCHEMBL696966 0.88
SCHEMBL6321838 0.81 EPHX1 (0.48) KMT2AEPHX1HPGDLMNAL3MBTL1
SCHEMBL28191092 0.80 EPHX1 (0.44) KMT2AEPHX1HPGDLMNAL3MBTL1
SCHEMBL2078945 0.79 KMT2A (0.47) KMT2AEPHX1HPGDLMNAL3MBTL1
SCHEMBL2907815 0.78 HPGD (0.48) KMT2AHPGDLMNAALDH1A1
SCHEMBL314403 0.78 L3MBTL1 (0.43) KMT2AEPHX1HPGDLMNAL3MBTL1
SCHEMBL4189908 0.78 KMT2A (0.45) KMT2AEPHX1HPGDLMNAL3MBTL1
SCHEMBL10643879 0.78 KMT2A (0.45) KMT2AEPHX1HPGDLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212325-A2 2-ARYLMETHYLAZETIDINE-CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVE OR ITS SALT, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Kukje Pharm. Ind. Co., Ltd. (KR) 2010-08-04 EP claimed
WO-2009066917-A2 2-ARYLMETHYLAZETIDINE-CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVE OR ITS SALT, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KUKJE PHARM. IND. CO., LTD. (KR) 2009-05-28 WO claimed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
EP-0295100-B1 Methoxymethyl compounds ERBA CARLO SPA (IT) 1994-09-14 EP claimed
US-4952577-A ANTIBIOTICS FARMITALIA CARLO ERBA S.R.L. (IT) 1990-08-28 US claimed
EP-0295100-A1 Methoxymethyl compounds FARMITALIA CARLO ERBA S.r.l. (IT) 1988-12-14 EP claimed
EP-3891134-A1 PRODRUGS OF 4-((1R,3S)-6-CHLORO-3-PHENYL-2,3-DIHYDRO-1H-INDEN-1-YL)-1,2,2-TRIMETHYLPIPERAZINE AND 4-((1/R,3S)-6-CHLORO-3-(PHENYL-D5)-2,3-DIHYDRO-1H-INDEN-1-YL)-2,2-DIMETHY-1-(METHYL-D3)PIPERAZINE H. Lundbeck A/S (DK) 2021-10-13 EP disclosed
CN-113056457-A 4- ((1R,3S) -6-chloro-3-phenyl-2, 3-dihydro-1H-inden-1-yl) -1,2, 2-trimethylpiperazine and 4- ((1R,3S) -6-chloro-3- (phenyl-d)5) -2, 3-dihydro-1H-inden-1-yl) -2, 2-dimethyl-1- (methyl-d3) Prodrugs of piperazine H.隆德贝克有限公司 2021-06-29 CN disclosed
WO-2020114853-A1 PRODRUGS OF 4-((1R,3S)-6-CHLORO-3-PHENYL-2,3-DIHYDRO-1H-INDEN-1-YL)-1,2,2-TRIMETHYLPIPERAZINE AND 4-((1/R,3S)-6-CHLORO-3-(PHENYL-D5)-2,3-DIHYDRO-1H-INDEN-1-YL)-2,2-DIMETHY-1-(METHYL-D3)PIPERAZINE H. LUNDBECK A/S (DK) 2020-06-11 WO disclosed
US-8778298-B2 Isotope labeled 2-arylpropionic acid compounds and process for production of same, and molecular probe for positron emission tomography and method for imaging of cyclooxygenase and the like using same RIKEN (JP) 2014-07-15 US disclosed
EP-2463263-B1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME RIKEN (JP) 2014-04-23 EP disclosed
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways HUNTER-FLEMING LIMITED (GB) 2013-01-24 US disclosed
US-8344002-B2 Compound having β-secretase inhibitory activity KISO YOSHIAKI (JP) 2013-01-01 US disclosed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP disclosed
EP-0337637-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1989-10-18 EP disclosed
US-4847286-A ANTIALLERGENS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-11 US disclosed
EP-0293771-A2 Cephalosporin compound and pharmaceutical composition thereof Kyoto Pharmaceutical Industries, Ltd. (JP) 1988-12-07 EP disclosed
EP-0108942-B1 CEPHALOSPORIN DERIVATIVES, METHODS OF PRODUCTION THEREOF AND PROPHYLACTIC AND THERAPEUTIC AGENTS FOR BACTERIAL INFECTION KYOTO PHARMA IND (JP) 1988-03-02 EP disclosed
US-4605651-A BACTERICIDES KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-08-12 US disclosed
EP-0108942-A2 Cephalosporin derivatives, methods of production thereof and prophylactic and therapeutic agents for bacterial infection Kyoto Pharmaceutical Industries, Ltd. (JP) 1984-05-23 EP 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-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 KMT2A 3544/4885EPHX1 490/4885HPGD 22/4885

“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.