SCHEMBL2932097

SCHEMBL2932097

N#CCC1CCCCC1O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
SLC18A3 Q16572 2/20 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
SCHEMBL20715187 1.00 CA1 (0.46) CA1CA2CA4SLC18A3
SCHEMBL6557200 0.95
SCHEMBL16498747 0.82
SCHEMBL16499163 0.82
SCHEMBL7865636 0.77 CA1 (0.54) CA1CA2CA4SLC18A3
SCHEMBL20552527 0.76 CA1 (0.46) CA1CA2CA4SLC18A3
SCHEMBL910613 0.76 CA1 (0.46) CA1CA2CA4SLC18A3
SCHEMBL15049046 0.73 CA1 (0.43) CA1CA2CA4SLC18A3
SCHEMBL648437 0.71 THRB (0.41)
SCHEMBL4423883 0.71 THRB (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308518-B2 Method of producing carboxylic acids DAICEL CHEM (JP) 2010-09-22 EP disclosed
EP-1609869-A2 Method of producing carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-12-28 EP disclosed
EP-1308518-B1 Method of producing carboxylic acids DAICEL CHEM (JP) 2005-12-14 EP disclosed
EP-1510513-A1 Process for producing a calcium carboxylate Solutia Inc. (US) 2005-03-02 EP disclosed
US-6673964-B1 FROM PROPIONITRILE AND CALCIUM HYDROXIDE OR CALCIUM OXIDE, AND WATER SOLUTIA INC. 2004-01-06 US disclosed
US-20040002618-A1 PROCESS FOR PRODUCING A CALCIUM CARBOXYLATE CITIBANK, N.A. 2004-01-01 US disclosed
EP-0852261-B1 Method of producing carboxylic acids DAICEL CHEM (JP) 2003-11-26 EP disclosed
EP-0926134-B1 Processes for producing alpha-cyanohydrin esters and alpha-hydroxy acids DAICEL CHEM (JP) 2003-09-17 EP disclosed
EP-1308518-A2 Method of producing carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-07 EP disclosed
EP-0926135-B1 Processes for producing alpha-aminonitrile derivatives and alpha-amino acids DAICEL CHEM (JP) 2002-06-05 EP disclosed
US-6100419-A Processes for producing α-aminonitrile derivatives and α-amino acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
EP-0731079-B1 Process for producing a carboxylic acid DAICEL CHEM (JP) 2000-06-14 EP disclosed
US-5932454-A USING STRAIN OF MICROORGANISM OR PREPARATION WHICH HYDRATES NITRILE TO AMIDE, THEN HYDROLYZED IN PRESENCE OF BASE TO CARBOXYLIC ACID SALT; OR ELECTRODIALYSIS OF SALT TO CARBOXYLIC ACID; BY-PRODUCT INHIBITION; REUSE REAGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
EP-0926135-A2 Processes for producing alpha-aminonitrile derivatives and alpha-amino acids Daicel Chemical Industries, Ltd. (JP) 1999-06-30 EP disclosed
EP-0926134-A2 Processes for producing alpha-cyanohydrin esters and alpha-hydroxy acids Daicel Chemical Industries, Ltd. (JP) 1999-06-30 EP disclosed
EP-0852261-A2 Method of producing carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-08 EP disclosed
CN-1186061-A Method of producing carboxylic acids DAICEL CHEM (JP) 1998-07-01 CN disclosed
US-5763652-A Process for producing a carboxylic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-09 US disclosed
CN-1138020-A Process for producing carboxylic acid DAICEL CHEM (JP) 1996-12-18 CN disclosed
EP-0731079-A2 Process for producing a carboxylic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-11 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-20040002618-A1 PROCESS FOR PRODUCING A CALCIUM CARBOXYLATE ORAI1, CA2, TMCO1 CA1 13/4885CA2 2/4885CA4 17/4885

“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.