SCHEMBL4456876

SCHEMBL4456876

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)OC(C)CCCCCC

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.65
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
ALDH1A1 P00352 1/20 0.49
CA2 P00918 2/20 0.48
ZDHHC7 Q9NXF8 1/20 0.46
NAAA Q02083 1/20 0.44
LMNA P02545 2/20 0.44
CA1 P00915 1/20 0.44
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
ABCB1 P08183 1/20 0.43
ACE2 Q9BYF1 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
SCHEMBL244867 1.00 FAAH (0.65) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL28556041 1.00 FAAH (0.65) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL30852876 1.00 FAAH (0.65) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL13044450 0.98 FAAH (0.63) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL27803013 0.98 FAAH (0.63) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL27781446 0.95 FAAH (0.59) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL18597023 0.94 FAAH (0.58) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL7218998 0.94 FAAH (0.63) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL20500708 0.93 FAAH (0.58) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL7217342 0.93 FAAH (0.61) FAAHCNR1CNR2ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140271518-A1 COSMETIC AEROSOL SPRAY WITH LASTING FRESHNESS EFFECT HENKEL AG & CO. KGAA (DE) 2014-09-18 US disclosed
US-7597881-B2 Use of ester quats in compositions as sand-repellent substances GOLDSCHMIDT GMBH (DE) 2009-10-06 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 FAAH 105/4885CNR1 2685/4885CNR2 1937/4885
US-20140271518-A1 COSMETIC AEROSOL SPRAY WITH LASTING FRESHNESS EFFECT ALOX5, CUTA, OR51E2 FAAH 67/4885CNR1 370/4885CNR2 871/4885

“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.