SCHEMBL2838004

SCHEMBL2838004

CCCCCCCCCC/C(C)=C/C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
DGKA P23743 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
TSHR P16473 5/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL7709682 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL28893578 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL3360702 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL15482811 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL13129941 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL6524315 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL7709678 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL15482689 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL13468257 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL6524316 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324378-B2 Prodrugs and conjugates of prenylation inhibitors PURDUE RESEARCH FOUNDATION (US) 2012-12-04 US disclosed
US-20100249072-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2010-09-30 US disclosed
WO-2009029849-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2009-03-05 WO disclosed
EP-1613585-A4 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE PURDUE RESEARCH FOUNDATION (US) 2008-07-23 EP disclosed
US-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase PURDUE RESEARCH FOUNDATION (US) 2007-01-04 US disclosed
US-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase PURDUE RESEARCH FOUNDATION (US) 2007-01-04 US disclosed
US-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase PURDUE RESEARCH FOUNDATION (US) 2007-01-04 US disclosed
WO-2006099313-A2 PHOSPHATE CONJUGATES OF PRENYLATION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2006-09-21 WO disclosed
EP-1613585-A2 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE PURDUE RESEARCH FOUNDATION (US) 2006-01-11 EP disclosed
WO-2004087064-A2 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE PURDUE RESEARCH FOUNDATION (US) 2004-10-14 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 (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-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase BHMT, BHMT2, GNMT FAAH 2891/4885DGKA 1417/4885NPSR1 3236/4885
US-20100249072-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS FNTA, FNTB, FDPS FAAH 2352/4885DGKA 795/4885NPSR1 3399/4885

“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.