SCHEMBL3946972

SCHEMBL3946972

CCC(CC(Cl)(Cl)Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
TDP1 Q9NUW8 2/20 0.42
CHRM1 P11229 2/20 0.42
ADRA1A P35348 2/20 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
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
GCLC P48506 2/20 0.36
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11381471 0.85 CHRM1 (0.38) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL11489484 0.82 CA2 (0.41) CA2MAPK1SLC1A3SLC1A2SLC1A1
Chloromethane SCHEMBL28143162 0.82 CA2 (0.64) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL3914888 0.80 CA2 (0.56) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL8923812 0.79 CA2 (0.61) CA2MAPK1SLC1A3SLC1A2SLC1A1
Trichloroacetic Acid SCHEMBL6132326 0.78 CA2 (0.54) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL9104718 0.76 CA2 (0.52) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL8943729 0.76 FOLH1 (0.46)
SCHEMBL500233 0.76 CA2 (0.46) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL6114 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1215298-A None JP disclosed
EP-1805316-B1 PROCESS FOR THE PREPARATION OF THE ENANTIOMERIC FORMS OF CIS-3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES EMPLOYING HYDROLASES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-15 EP disclosed
EP-1805316-A2 METHOD FOR PRODUCING THE ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES Sanofi-Aventis Deutschland GmbH (DE) 2007-07-11 EP disclosed
EP-1599433-B1 METHOD FOR PRODUCING THE ENANTIOMERIC FORMS OF CIS 1,3-CYCLOHEXANEDIOL DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2006-12-06 EP disclosed
WO-2006015716-A2 METHOD FOR PRODUCING THE ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-16 WO disclosed
EP-1599433-A1 METHOD FOR PRODUCING THE ENANTIOMERIC FORMS OF CIS 1,3-CYCLOHEXANEDIOL DERIVATIVES Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
WO-2004076390-A1 METHOD FOR PRODUCING THE ENANTIOMERIC FORMS OF CIS 1,3-CYCLOHEXANEDIOL DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO disclosed
US-20040137582-A1 Methods for manufacturing polysaccharide derivatives RENSSELAER POLYTECHNIC INSTITUTE 2004-07-15 US disclosed
WO-2004024774-A2 METHODS FOR MANUFACTURING POLYSACCHARIDE DERIVATIVES RENSSELAER POLYTECHNIC INSTITUTE (US) 2004-03-25 WO disclosed
EP-0594621-A1 PROCESS FOR ENZYMATICALLY PREPARING ENANTIOMER-FREE ESTERS AND ALCOHOLS Roche Diagnostics GmbH (DE) 1994-05-04 EP disclosed
WO-1993002034-A1 PROCESS FOR ENZYMATICALLY PREPARING ENANTIOMER-FREE ESTERS AND ALCOHOLS BOEHRINGER MANNHEIM GMBH (DE) 1993-02-04 WO disclosed
EP-0274277-B1 A PROCESS FOR THE ENZYMATIC SEPARATION OF THE OPTICAL ISOMERS OF RACEMIC OXAZOLIDINONIC DERIVATIVES Montedison S.p.A. (IT) 1993-01-27 EP disclosed
WO-1990009446-A1 CUTINASE PLANT GENETIC SYSTEMS N.V. (BE) 1990-08-23 WO disclosed
US-4933290-A REACTING WITH AN ESTER, ACID, OR ANHYDRIDE IN THE PRESENCE OF A LIPASE IMMOBILIZED ON A POROUS CARRIER MONTEDISON S.P.A. (IT) 1990-06-12 US disclosed
JP-H01215298-A METHOD FOR OPTICALLY RESOLVING (+-)-1-PARA SUBSTITUTED PHENYLETHANOL ARAKAWA CHEM IND CO LTD 1989-08-29 JP disclosed
EP-0274277-A2 A process for the enzymatic separation of the optical isomers of racemic oxazolidinonic derivatives Montedison S.p.A. (IT) 1988-07-13 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-20040137582-A1 Methods for manufacturing polysaccharide derivatives SI, MGAM, IDUA CA2 2688/4885MAPK1 1765/4885SLC1A3 4827/4885

“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.