SCHEMBL698514

SCHEMBL698514

[CH2]COC(=O)OCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
TSHR P16473 3/20 0.55
EPHX1 P07099 1/20 0.52
HCAR2 Q8TDS4 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 6/20 0.46
DGKA P23743 1/20 0.45
HTR2C P28335 1/20 0.44

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
SCHEMBL4848630 1.00 NAAA (0.55) NAAATSHREPHX1HCAR2RAD52
SCHEMBL8816700 1.00 NAAA (0.55) NAAATSHREPHX1HCAR2RAD52
SCHEMBL4852360 1.00 NAAA (0.55) NAAATSHREPHX1HCAR2RAD52
SCHEMBL4853286 1.00 NAAA (0.55) NAAATSHREPHX1HCAR2RAD52
SCHEMBL696797 0.98 NAAA (0.52) NAAATSHREPHX1HCAR2RAD52
SCHEMBL696985 0.91 ALDH1A1 (0.54) NAAATSHREPHX1HCAR2ALDH1A1
SCHEMBL4934658 0.89 NAAA (0.67) NAAATSHREPHX1HCAR2RAD52
SCHEMBL1834574 0.89 NAAA (0.67) NAAATSHREPHX1HCAR2RAD52
SCHEMBL1841329 0.89 NAAA (0.67) NAAATSHREPHX1HCAR2RAD52
SCHEMBL1839498 0.89 NAAA (0.67) NAAATSHREPHX1HCAR2RAD52

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 102 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-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 EP disclosed
WO-2021214126-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2021-10-28 WO disclosed
CN-109336891-B 5- (furan-2' -carbonyl) -2, 3-dihydro-1H-pyrrolizine-7-carboxylic acid and derivatives thereof 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2020-04-10 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-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US 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
US-5073551-A Antibiotics SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-12-17 US disclosed
EP-0335390-A2 Novel cephalosporin compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-10-04 EP disclosed
US-4496562-A 7-Substituted-3-cephem-4-carboxylic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-29 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-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.