SCHEMBL4464049

SCHEMBL4464049

CCCCCCCC/C=C\CCCCCCCCC(CC(=O)O)[N+](C)(CCO)C(CCCCCCCC/C=C\CCCCCCCC)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.46
PPARD Q03181 5/20 0.46
PPARA Q07869 5/20 0.46
F7 P08709 4/20 0.46
F3 P13726 4/20 0.46
TERT O14746 3/20 0.46
PTPN1 P18031 3/20 0.46
TOP1 P11387 3/20 0.46
HSD17B10 Q99714 3/20 0.46
FABP4 P15090 3/20 0.46
MAPT P10636 2/20 0.46
BLM P54132 2/20 0.46
LMNA P02545 2/20 0.46
ALOX15 P16050 2/20 0.46
DUSP3 P51452 2/20 0.46
CYP19A1 P11511 2/20 0.46
PTGS1 P23219 2/20 0.46
NR4A2 P43354 2/20 0.46
SIRT6 Q8N6T7 2/20 0.46
PTPN7 P35236 2/20 0.46

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
SCHEMBL6860166 0.92 GPR84 (0.50) PPARDMAPTBLMLMNAGMNN
SCHEMBL4465833 0.90 FFAR1 (0.39) PPARGPPARDPPARAF7F3
SCHEMBL6675439 0.81 GPR84 (0.40) MAPTBLMLMNAGMNNCYP1A2
SCHEMBL7785237 0.76 PSMD14 (0.37) MMP2FAAHFABP3
SCHEMBL29971367 0.75 TERT (0.59) PPARGPPARDPPARAF7F3
SCHEMBL774635 0.75 TERT (0.59) PPARGPPARDPPARAF7F3
SCHEMBL4903597 0.75 TERT (0.59) PPARGPPARDPPARAF7F3
SCHEMBL8464411 0.73 GPR84 (0.79) PPARGPPARDPPARAF7F3
SCHEMBL8607915 0.73 GPR84 (0.79) PPARGPPARDPPARAF7F3
SCHEMBL8464415 0.73 GPR84 (0.79) PPARGPPARDPPARAF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7597881-B2 Use of ester quats in compositions as sand-repellent substances GOLDSCHMIDT GMBH (DE) 2009-10-06 US claimed
US-20070231289-A1 Use of ester quats in compositions as sand-repellent substances GOLDSCHMIDT GMBH (DE) 2007-10-04 US claimed
EP-2917398-A1 COMPOSITION FOR PERMANENTLY HYDROPHILIZING POLYOLEFIN FIBERS AND USE THEREOF Schill + Seilacher GmbH (DE) 2015-09-16 EP disclosed
WO-2014072210-A1 COMPOSITION FOR PERMANENTLY HYDROPHILIZING POLYOLEFIN FIBERS AND USE THEREOF SCHILL + SEILACHER GMBH (DE) 2014-05-15 WO disclosed
US-7597881-B2 Use of ester quats in compositions as sand-repellent substances GOLDSCHMIDT GMBH (DE) 2009-10-06 US disclosed
US-20080305056-A1 STABLE, LOW VISCOSITY COSMETIC COMPOSITIONS EVONIK GOLDSCHMIDT GMBH (DE) 2008-12-11 US disclosed
US-20070231289-A1 Use of ester quats in compositions as sand-repellent substances GOLDSCHMIDT GMBH (DE) 2007-10-04 US 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-20070231289-A1 Use of ester quats in compositions as sand-repellent substances CUTA, DLAT, CRAT PPARG 171/4885PPARD 520/4885PPARA 164/4885
US-20080305056-A1 STABLE, LOW VISCOSITY COSMETIC COMPOSITIONS QARS1, QPCTL, CUTA PPARG 877/4885PPARD 1593/4885PPARA 907/4885

“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.