SCHEMBL12836601

SCHEMBL12836601

CCCCCCC(O)C/C=C/CCCCCCCC(=O)OCCCO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.64
FFAR4 Q5NUL3 1/20 0.64
DGKA P23743 1/20 0.60
FAAH O00519 4/20 0.57
MGLL Q99685 1/20 0.55
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKCA P17252 1/20 0.51
LPAR1 Q92633 7/20 0.51
LPAR4 Q99677 3/20 0.51
LPAR2 Q9HBW0 3/20 0.51
LPAR3 Q9UBY5 3/20 0.51
ENPP2 Q13822 2/20 0.51
LPAR5 Q9H1C0 2/20 0.51
CES2 O00748 1/20 0.51
LPAR6 P43657 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
EPHX2 P34913 1/20 0.51
NFKB1 P19838 1/20 0.49

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
SCHEMBL3460445 1.00 FFAR1 (0.64) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL12842107 0.96 FFAR1 (0.63) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL11223716 0.96 FFAR1 (0.63) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL27513328 0.94 FFAR1 (0.66) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL142809 0.94 FFAR1 (0.66) FFAR1FFAR4DGKAFAAHMGLL
Ethylene Glycol SCHEMBL5162980 0.94 FFAR1 (0.66) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL25340998 0.94 FFAR1 (0.69) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL20897199 0.94 FFAR1 (0.69) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL20521729 0.94 FFAR1 (0.69) FFAR1FFAR4DGKAFAAHMGLL
SCHEMBL22096921 0.94 FFAR1 (0.69) FFAR1FFAR4DGKAFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475637-B1 NOVEL CASTOR OIL DERIVATIVES AND METHOD FOR THE PRODUCTION THEREOF CENTRE NAT RECH SCIENT (FR) 2019-07-24 EP disclosed
WO-2015092028-A1 METHOD FOR PREPARING DISPERSIONS OF POLYURETHANE BY POLYMERISATION IN A MINIEMULSION INSTITUT DES CORPS GRAS ETUDES ET RECHERCHES TECHNIQUES - ITERG (FR) 2015-06-25 WO disclosed
US-9029494-B2 Castor oil derivatives and method for the production thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2015-05-12 US disclosed
US-9029494-B2 Castor oil derivatives and method for the production thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2015-05-12 US disclosed
US-20130005936-A1 NOVEL CASTOR OIL DERIVATIVES AND METHOD FOR THE PRODUCTION THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-01-03 US disclosed
US-20130005936-A1 NOVEL CASTOR OIL DERIVATIVES AND METHOD FOR THE PRODUCTION THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-01-03 US disclosed
WO-2011030036-A1 COMPOSITION COMPRISING A POLYMER BASED ON SPECIFIC POLYOLS, AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2011-03-17 WO disclosed
WO-2011030075-A1 NOVEL CASTOR OIL DERIVATIVES AND METHOD FOR THE PRODUCTION THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2011-03-17 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 (1 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-20130005936-A1 NOVEL CASTOR OIL DERIVATIVES AND METHOD FOR THE PRODUCTION THEREOF CYP46A1, CYP17A1, CYP4A11 FFAR1 243/4885FFAR4 495/4885DGKA 384/4885

“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.