SCHEMBL905445

SCHEMBL905445

CCCC[C@@H](C)C(C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
MAPK1 P28482 1/20 0.52
ACE2 Q9BYF1 1/20 0.45
GPR84 Q9NQS5 3/20 0.45
FFAR1 O14842 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
MAPT P10636 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 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
SCHEMBL905447 1.00 CA2 (0.52) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL6157245 0.93 GPR84 (0.54) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL1042654 0.91 GPR84 (0.57) ACE2GPR84FFAR1SLC1A2SLC1A1
SCHEMBL28727416 0.91 GPR84 (0.52) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL29098805 0.91 GPR84 (0.57) ACE2GPR84FFAR1SLC1A2SLC1A1
SCHEMBL338004 0.91 GPR84 (0.57) ACE2GPR84FFAR1SLC1A2SLC1A1
SCHEMBL338277 0.91 GPR84 (0.57) ACE2GPR84FFAR1SLC1A2SLC1A1
SCHEMBL5860202 0.91 GPR84 (0.57) ACE2GPR84FFAR1SLC1A2SLC1A1
SCHEMBL2928745 0.91 GPR84 (0.57) ACE2GPR84FFAR1SLC1A2SLC1A1
SCHEMBL28938780 0.91 GPR84 (0.52) CA2MAPK1ACE2GPR84FFAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080233621-A1 Method For Producing Alcohol and Carboxylic Acid Having Optical Activity API CORPORATION (JP) 2008-09-25 US claimed
EP-1712630-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AND CARBOXYLIC ACID API Corporation (JP) 2006-10-18 EP claimed
EP-2278014-A2 Method for producing alcohol and carboxylic acid having optical activity API Corporation (JP) 2011-01-26 EP disclosed
EP-2270178-A2 Method for producing alcohol and carboxylic acid having optical activity API Corporation (JP) 2011-01-05 EP disclosed
US-7534908-B2 Method for the production of optically active 3-alkylcarboxylic acids and the intermediate products thereof WACKER CHEMIE AG (DE) 2009-05-19 US disclosed
US-20080233621-A1 Method For Producing Alcohol and Carboxylic Acid Having Optical Activity API CORPORATION (JP) 2008-09-25 US disclosed
EP-1748975-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE 3-ALKYL CARBOXYLIC ACIDS AND THE INTERMEDIATE PRODUCTS THEREOF WACKER CHEMIE AG (DE) 2008-02-13 EP disclosed
US-20070225519-A1 Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2007-09-27 US disclosed
EP-1712630-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AND CARBOXYLIC ACID API Corporation (JP) 2006-10-18 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-20070225519-A1 Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof ME1, ME3, ACMSD CA2 243/4885MAPK1 2335/4885ACE2 1773/4885

“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.