SCHEMBL3630645

SCHEMBL3630645

CCCCCCCCCCCCCCCCCCC(CCC)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.73
AKR1A1 P14550 1/20 0.73
CHRM3 P20309 1/20 0.73
HTR2A P28223 1/20 0.73
HTR2C P28335 1/20 0.73
ADRA1A P35348 1/20 0.73
HRH1 P35367 1/20 0.73
DRD3 P35462 1/20 0.73
SLC6A3 Q01959 1/20 0.73
HDAC1 Q13547 1/20 0.73
HDAC2 Q92769 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
GRIK1 P39086 3/20 0.63
GRIK2 Q13002 3/20 0.63
CA2 P00918 2/20 0.61
MAPK1 P28482 1/20 0.61
SLC1A2 P43004 3/20 0.60
SLC1A1 P43005 3/20 0.60
GPR84 Q9NQS5 6/20 0.59
FFAR1 O14842 1/20 0.59

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
SCHEMBL1943942 1.00 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1115851 1.00 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C
Arundic Acid SCHEMBL277260 1.00 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C
Arundic Acid SCHEMBL3450562 1.00 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2489255 1.00 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1115797 1.00 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15499898 1.00 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL432094 1.00 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1115939 1.00 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1115977 1.00 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605638-B1 Treating multidrug resistant tumors; increasing drug bioavailability D-PHARM LIMITED (IL) 2003-08-12 US claimed
US-7687483-B2 Derivatives of branch-chain lipophilic molecular and uses thereof D-PHARM LTD. (IL) 2010-03-30 US disclosed
EP-1305322-B1 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF DPHARM LTD (IL) 2010-01-13 EP disclosed
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
US-20070135381-A1 Derivatives of branch-chain lipophilic molecular and uses thereof D-PHARM LTD. (IL) 2007-06-14 US disclosed
US-7186703-B2 Derivatives of branched-chain lipophilic molecules and uses thereof D-PHARM LTD. (IL) 2007-03-06 US 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
CN-1633440-A Branched-chain lipophilic molecule derivatives and uses thereof DPHARM LTD (IL) 2005-06-29 CN disclosed
EP-1305322-A4 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF DPHARM LTD (IL) 2005-04-13 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-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof D-PHARM, LTD. (IL) 2003-10-02 US disclosed
US-6605638-B1 Treating multidrug resistant tumors; increasing drug bioavailability D-PHARM LIMITED (IL) 2003-08-12 US disclosed
EP-1305322-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-Pharm Ltd. (IL) 2003-05-02 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
WO-2002011666-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-PHARM LTD. (IL) 2002-02-14 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 (4 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-20070135381-A1 Derivatives of branch-chain lipophilic molecular and uses thereof PLIN3, GLS, LIPG CHRM1 4678/4885AKR1A1 2673/4885CHRM3 4216/4885
US-20040235949-A1 Use of branched-chain fatty acids and derivatives thereof for the treatment of pain OPRL1, ELOVL5, ELOVL1 CHRM1 1897/4885AKR1A1 539/4885CHRM3 927/4885
US-20020042445-A1 Use of branched-chain fatty acids and derivatives thereof for the treatment of pain OPRL1, ELOVL5, ELOVL1 CHRM1 1897/4885AKR1A1 539/4885CHRM3 927/4885
US-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof PLIN3, PLIN5, SLC27A1 CHRM1 4778/4885AKR1A1 2053/4885CHRM3 4378/4885

“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.