SCHEMBL905438

SCHEMBL905438

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
METAP1 P53582 1/20 0.41
GRIK1 P39086 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRIK2 Q13002 1/20 0.40
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL905432 1.00 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL905429 1.00 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28727671 0.97 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
Pentane SCHEMBL28232338 0.93 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL905445 0.85 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL905447 0.85 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6157245 0.83 GPR84 (0.54) GRIK1SLC1A2SLC1A1GRIK2CA2
SCHEMBL1042654 0.81 GPR84 (0.57) GRIK1SLC1A2SLC1A1GRIK2ACE2
SCHEMBL338277 0.81 GPR84 (0.57) GRIK1SLC1A2SLC1A1GRIK2ACE2
SCHEMBL2928745 0.81 GPR84 (0.57) GRIK1SLC1A2SLC1A1GRIK2ACE2

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 13 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-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-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
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
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 CHRM1 1439/4885AKR1A1 392/4885CHRM3 1318/4885

“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.