SCHEMBL524327

SCHEMBL524327

CCC(C)([O])OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.32

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
SCHEMBL11303039 0.81 ALDH1A1 (0.36) ALDH1A1MAPK1
SCHEMBL1263625 0.76
SCHEMBL3297798 0.74 ALDH1A1 (0.41) ALDH1A1MAPK1
SCHEMBL14777666 0.74 TSHR (0.36) ALDH1A1MAPK1
SCHEMBL3177179 0.73
SCHEMBL10709365 0.70 ALDH1A1 (0.32) ALDH1A1MAPK1
SCHEMBL28812268 0.70 ALDH1A1 (0.32) ALDH1A1MAPK1
SCHEMBL29225868 0.70 MAPK1 (0.32) MAPK1
SCHEMBL137282 0.69
SCHEMBL30608277 0.69 MAPK1 (0.39) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2012-10-11 US disclosed
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US disclosed
WO-2011026781-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2011-03-10 WO disclosed
EP-2292589-A1 Novel multifunctional peptidase inhibitors, especially for medical use IMTM GmbH (DE) 2011-03-09 EP disclosed
US-7605111-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2009-10-20 US disclosed
CN-100509798-C Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prevention and treatment of disorders related thereto ARENA PHARM INC (US) 2009-07-08 CN disclosed
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
CN-1307139-C Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2007-03-28 CN disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070049773-A1 Process for functionalising a phenolic compound carrying an electron-donating group MIOSKOWSKI CHARLES 2007-03-01 US disclosed
WO-2005037794-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
CN-1448379-A Method of producing p-hydroxyphenylalkanols SUMITOMO CHEMICAL CO (JP) 2003-10-15 CN disclosed
CN-1090935-C Pharmaceutical composition for piperidinoalkanol compounds AVENTIS PHARMA INC (US) 2002-09-18 CN disclosed
CN-1176599-A Pharmaceutical composition for piperidinoalkanol compounds HOECHST MARION ROUSSEL INC (US) 1998-03-18 CN disclosed
CN-1036112-C Diamino-vinyl compounds TAKEDA PHARMACEUTICAL IND K K (JP) 1997-10-15 CN disclosed
CN-1034501-C (Bemzhydryloxyethylpiperidyl) aliphatic acid derivatives and their use in the treatment of allergies and asthma SANKYO CO (JP) 1997-04-09 CN disclosed
US-5204458-A Reacting an allenyl beta-lactam with a nucleophilic agent OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-04-20 US disclosed
CN-1046896-A DIAMINO-VINYL COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-11-14 CN disclosed
US-4680385-A Metal dye complexes containing an azo or azomethine dye and a colorless ligand with the C═N--N═C group CIBA-GEIGY CORPORATION (US) 1987-07-14 US disclosed
US-4239897-A Thiophene compounds and their manufacture BASF AKTIENGESELLSCHAFT (DE) 1980-12-16 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 (4 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-20070049773-A1 Process for functionalising a phenolic compound carrying an electron-donating group COMT, ETFA, LPO ALDH1A1 620/4885MAPK1 1959/4885
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 ALDH1A1 961/4885MAPK1 1292/4885
US-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE PEPD, CTSC, SERPINB1 ALDH1A1 808/4885MAPK1 1940/4885
US-20070060596-A1 Heterocyclyl compounds F9, F12, CYP2C9 ALDH1A1 3505/4885MAPK1 3877/4885

“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.