SCHEMBL3857579

SCHEMBL3857579

CCCCCCCC(CCC)C(=O)OC(=O)C(CCC)CCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
ZDHHC7 Q9NXF8 1/20 0.48
CA1 P00915 1/20 0.47
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
GPR84 Q9NQS5 7/20 0.45
NAAA Q02083 1/20 0.45
FFAR1 O14842 1/20 0.45
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL20370240 0.98 CA2 (0.48) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL3075648 0.96 CA2 (0.55) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL21409705 0.96 CA2 (0.55) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL27494921 0.94 CA2 (0.59) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL29270046 0.91 CA1 (0.47) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL28274023 0.90 CA2 (0.47) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL28176209 0.90 CA2 (0.46) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL27555272 0.88 CA2 (0.63) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL8854677 0.88 CA2 (0.62) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL3857585 0.87 DGKA (0.52) CA2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582678-B2 Use of branched-chain fatty acids and derivatives thereof for the treatment of pain D-PHARM LIMITED (IL) 2009-09-01 US disclosed
EP-1419129-B1 USE OF BRANCHED-CHAIN FATTY ACIDS AND DERIVATIVES THEREOF FOR THE TREATMENT OF PAIN DPHARM LTD (IL) 2008-12-03 EP disclosed
EP-1419129-A4 USE OF BRANCHED-CHAIN FATTY ACIDS AND DERIVATIVES THEREOF FOR THE TREATMENT OF PAIN DPHARM LTD (IL) 2006-05-10 EP disclosed
US-20040235949-A1 Use of branched-chain fatty acids and derivatives thereof for the treatment of pain D-PHARM LIMITED (IL) 2004-11-25 US disclosed
EP-1419129-A2 USE OF BRANCHED-CHAIN FATTY ACIDS AND DERIVATIVES THEREOF FOR THE TREATMENT OF PAIN D-Pharm Limited (IL) 2004-05-19 EP disclosed
US-6518311-B2 Analgesics D-PHARM LTD. (IL) 2003-02-11 US disclosed
WO-2003000173-A2 USE OF BRANCHED-CHAIN FATTY ACIDS AND DERIVATIVES THEREOF FOR THE TREATMENT OF PAIN D-PHARM LIMITED (IL) 2003-01-03 WO disclosed
US-20020042445-A1 Use of branched-chain fatty acids and derivatives thereof for the treatment of pain D-PHARM LTD. (IL) 2002-04-11 US disclosed
US-6251946-B1 SATURATED OR UNSATURATED BRANCHED FATTY ACID CONTAINING LIPID ESTER OR FATTY ACID AMIDE TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS, INCLUDING EPILEPSY, MIGRAINES, CHRONIC PAIN AND BIPOLAR DISORDERS D-PHARM LTD. (IL) 2001-06-26 US disclosed
EP-1009734-A1 BRANCHED CHAIN FATTY ACIDS, THEIR DERIVATIVES AND USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS D-PHARM, LTD. (IL) 2000-06-21 EP disclosed
WO-1999002485-A1 BRANCHED CHAIN FATTY ACIDS, THEIR DERIVATIVES AND USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS D-PHARM LTD. (IL) 1999-01-21 WO 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 (2 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-20040235949-A1 Use of branched-chain fatty acids and derivatives thereof for the treatment of pain OPRL1, ELOVL5, ELOVL1 CA2 1189/4885ZDHHC7 261/4885CA1 2400/4885
US-20020042445-A1 Use of branched-chain fatty acids and derivatives thereof for the treatment of pain OPRL1, ELOVL5, ELOVL1 CA2 1189/4885ZDHHC7 261/4885CA1 2400/4885

“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.