SCHEMBL12116641

SCHEMBL12116641

CCCCC/C=C/CCCC(=O)OCC(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.67
DGKA P23743 1/20 0.66
PRKCE Q02156 1/20 0.62
PRKCQ Q04759 1/20 0.62
PRKCD Q05655 1/20 0.62
PRKCA P17252 1/20 0.62
MGLL Q99685 1/20 0.60
MAPT P10636 2/20 0.59
CNR1 P21554 2/20 0.59
ALDH1A1 P00352 1/20 0.59
THRB P10828 1/20 0.59
LPAR1 Q92633 5/20 0.58
ENPP2 Q13822 4/20 0.58
LPAR3 Q9UBY5 3/20 0.58
LPAR4 Q99677 2/20 0.58
LPAR5 Q9H1C0 2/20 0.58
LPAR2 Q9HBW0 2/20 0.58
CES2 O00748 1/20 0.58
LPAR6 P43657 1/20 0.58
TRPV1 Q8NER1 1/20 0.58

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
SCHEMBL6895087 1.00 FAAH (0.67) FAAHDGKAPRKCEPRKCQPRKCD
SCHEMBL7029598 0.95 FAAH (0.74) FAAHDGKAPRKCEPRKCQPRKCD
SCHEMBL7029602 0.95 FAAH (0.74) FAAHDGKAPRKCEPRKCQPRKCD
SCHEMBL332985 0.95 DGKA (0.73) FAAHDGKAPRKCEPRKCQPRKCD
SCHEMBL2396742 0.95 DGKA (0.73) FAAHDGKAPRKCEPRKCQPRKCD
SCHEMBL9169298 0.95 DGKA (0.73) FAAHDGKAPRKCEPRKCQPRKCD
SCHEMBL3658169 0.95 DGKA (0.73) FAAHDGKAPRKCEPRKCQPRKCD
SCHEMBL12438334 0.95 DGKA (0.73) FAAHDGKAPRKCEPRKCQPRKCD
SCHEMBL332986 0.95 DGKA (0.73) FAAHDGKAPRKCEPRKCQPRKCD
SCHEMBL10655057 0.95 DGKA (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-8536328-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2013-09-17 US disclosed
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS ALKERMES, INC. (US) 2011-11-10 US disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 FAAH 1017/4885DGKA 4871/4885PRKCE 4746/4885
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS COASY, DHPS, OXA1L FAAH 3072/4885DGKA 2661/4885PRKCE 2537/4885

“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.