SCHEMBL696797

SCHEMBL696797

[CH2]COC(=O)OCCCCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
TSHR P16473 5/20 0.52
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HCAR2 Q8TDS4 2/20 0.46
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
FAAH O00519 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 3/20 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
SCHEMBL8816700 0.98 NAAA (0.55) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL4848630 0.98 NAAA (0.55) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL4852360 0.98 NAAA (0.55) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL4853286 0.98 NAAA (0.55) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL698514 0.98 NAAA (0.55) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL696985 0.93 ALDH1A1 (0.54) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL37366 0.89 NAAA (0.62) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL4034966 0.87 NAAA (0.52) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL4853689 0.87 NAAA (0.52) NAAATSHREPHX1ALDH1A1HCAR2
SCHEMBL9839017 0.87 ALDH1A1 (0.52) NAAATSHREPHX1ALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378548-B2 Tertiary amine compounds having an ester structure and processes for preparing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-05-27 US claimed
US-20060217570-A1 Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same SHIN-ETSU CHEMICAL CO., LTD. 2006-09-28 US claimed
CN-118109069-A Resin composition, cured product, and method for producing cured product 东京应化工业株式会社 2024-05-31 CN disclosed
CN-118108899-A Curable resin composition, cured product, and method for producing cured product 东京应化工业株式会社 2024-05-31 CN disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO disclosed
US-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
EP-0603001-A1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO COMPANY LIMITED (JP) 1994-06-22 EP disclosed
EP-0573218-A2 4-Carboxyimidazoles as angiotensin II antagonists and their thrapeutic use SANKYO COMPANY LIMITED (JP) 1993-12-08 EP disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
EP-0545912-A2 1-Biphenylmethylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1993-06-09 EP disclosed
EP-0503785-A1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-09-16 EP disclosed
EP-0072710-A1 Carbapenem derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1983-02-23 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-20060217570-A1 Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same HRH3, HRH4, HRH2 NAAA 5/4885TSHR 2088/4885EPHX1 45/4885

“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.