SCHEMBL540898

SCHEMBL540898

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.59
CES1 P23141 2/20 0.59
DGKA P23743 1/20 0.57
LPAR1 Q92633 2/20 0.56
PRKCE Q02156 1/20 0.55
PRKCQ Q04759 1/20 0.55
PRKCD Q05655 1/20 0.55
PRKCA P17252 1/20 0.55
P2RY10 O00398 1/20 0.54
TERT O14746 3/20 0.53
MAPT P10636 2/20 0.53
BLM P54132 2/20 0.53
HSD17B10 Q99714 2/20 0.53
FABP4 P15090 2/20 0.53
PTPN1 P18031 2/20 0.53
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53

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
SCHEMBL540976 1.00 FAAH (0.59) FAAHCES1DGKALPAR1PRKCE
SCHEMBL2690448 0.90 DGKA (0.62) FAAHCES1DGKAMAPTHSD17B10
SCHEMBL21257703 0.90 DGKA (0.62) FAAHCES1DGKAMAPTHSD17B10
SCHEMBL2690121 0.90 DGKA (0.62) FAAHCES1DGKAMAPTHSD17B10
SCHEMBL835850 0.90 DGKA (0.62) FAAHCES1DGKAMAPTHSD17B10
SCHEMBL24961269 0.90 DGKA (0.62) FAAHCES1DGKAMAPTHSD17B10
SCHEMBL6509263 0.90 DGKA (0.62) FAAHCES1DGKAMAPTHSD17B10
SCHEMBL21257687 0.90 DGKA (0.62) FAAHCES1DGKAMAPTHSD17B10
SCHEMBL2692664 0.88 DGKA (0.59) FAAHCES1DGKAMAPTHSD17B10
SCHEMBL3663183 0.87 DGKA (0.60) FAAHDGKAPRKCEPRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414322-B1 POLYAMINE DERIVATIVES EGEN INC (US) 2022-09-14 EP disclosed
US-9254334-B2 Polyamine derivatives CLSN LABORATORIES, INC. (US) 2016-02-09 US disclosed
CN-104922676-A POLYAMINE DERIVATIVES CLSN LAB INC 2015-09-23 CN disclosed
US-20150099000-A1 Polyamine Derivatives CLSN LABORATORIES, INC. (US) 2015-04-09 US disclosed
US-8932638-B2 Polyamine derivatives CLSN LABORATORIES, INC. (US) 2015-01-13 US disclosed
US-8900621-B2 Polyamine derivatives CLSN LABORATORIES, INC. (US) 2014-12-02 US disclosed
US-20140050775-A1 Polyamine Derivatives EGEN, INC. (US) 2014-02-20 US disclosed
US-20130251809-A1 Polyamine Derivatives EGEN, INC. (US) 2013-09-26 US disclosed
US-8460696-B2 Polyamine derivatives EGEN, INC. (US) 2013-06-11 US disclosed
EP-2414322-A2 POLYAMINE DERIVATIVES Egen, Inc. (US) 2012-02-08 EP disclosed
US-20100260817-A1 Polyamine Derivatives EGEN, INC. 2010-10-14 US disclosed
WO-2010108108-A2 POLYAMINE DERIVATIVES EGEN, INC. (US) 2010-09-23 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-20130251809-A1 Polyamine Derivatives SRM, SMS, SGMS2 FAAH 4423/4885CES1 3598/4885DGKA 1473/4885
US-20150099000-A1 Polyamine Derivatives SRM, SMS, SGMS2 FAAH 4423/4885CES1 3598/4885DGKA 1473/4885
US-20100260817-A1 Polyamine Derivatives SRM, SMS, SGMS2 FAAH 4423/4885CES1 3598/4885DGKA 1473/4885
US-20140050775-A1 Polyamine Derivatives SRM, SMS, SGMS2 FAAH 4423/4885CES1 3598/4885DGKA 1473/4885

“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.