SCHEMBL5595771

SCHEMBL5595771

C=C(C=C(CC)C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
TET2 Q6N021 1/20 0.31

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
SCHEMBL18169351 1.00 FFAR3 (0.35) FFAR3TSHRKDM4EALDH1A1GRIK1
SCHEMBL23709589 0.85 TDP1 (0.33) FFAR3TSHRALDH1A1
SCHEMBL2747280 0.82 HDAC3 (0.39) FFAR3TSHRKDM4EALDH1A1GRIK1
SCHEMBL1245379 0.81 ALDH1A1 (0.37) TSHRKDM4EALDH1A1
SCHEMBL15103541 0.81
SCHEMBL4375015 0.81 ALDH1A1 (0.35) FFAR3TSHRKDM4EALDH1A1GRIK1
SCHEMBL4375017 0.81 ALDH1A1 (0.35) FFAR3TSHRKDM4EALDH1A1GRIK1
SCHEMBL2431228 0.80 NPSR1 (0.41) TSHRALDH1A1
SCHEMBL2308752 0.79 TSHR (0.33) FFAR3TSHRKDM4EALDH1A1GRIK1
SCHEMBL4273874 0.79 TSHR (0.33) FFAR3TSHRKDM4EALDH1A1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150004224-A1 DPA-ENRICHED COMPOSITIONS OF OMEGA-3 POLYUNSATURATED FATTY ACIDS IN FREE ACID FORM OMTHERA PHRMACEUTICALS INC (US) 2015-01-01 US claimed
EP-2800563-A1 DPA-ENRICHED COMPOSITIONS OF OMEGA-3 POLYUNSATURATED FATTY ACIDS IN FREE ACID FORM Omthera Pharmaceuticals Inc. (US) 2014-11-12 EP claimed
US-20130177643-A1 DPA-ENRICHED COMPOSITIONS OF OMEGA-3 POLYUNSATURATED FATTY ACIDS IN FREE ACID FORM CHRYSALIS PHARMA AG (CH) 2013-07-11 US claimed
WO-2013103902-A1 DPA-ENRICHED COMPOSITIONS OF OMEGA-3 POLYUNSATURATED FATTY ACIDS IN FREE ACID FORM OMTHERA PHARMACEUTICALS, INC. (US) 2013-07-11 WO claimed
EP-3348262-A1 METHODS FOR MAKING DPA-ENRICHED COMPOSITIONS OF OMEGA-3 POLYUNSATURATED FATTY ACIDS IN FREE ACID FORM Omthera Pharmaceuticals Inc. (US) 2018-07-18 EP disclosed
US-20160347908-A1 PROCESS FOR PRODUCING NYLON-6,6 BASF SE (DE) 2016-12-01 US disclosed
US-20160326092-A1 METHOD FOR PRODUCING HEXAMETHYLENEDIAMINE BASF SE (DE) 2016-11-10 US disclosed
US-20160311739-A1 METHOD FOR PREPARING 1,6-HEXANEDIOL BASF SE (DE) 2016-10-27 US disclosed
EP-1758574-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYUNSATURATED FATTY ACID AND AT LEAST ONE OF AN IMMUNOSUPPRESSIVE AGENT OR AN ANTINEOPLASTIC AGENT TILLOTTS PHARMA AG (CH) 2007-03-07 EP disclosed
EP-1758573-A1 A PHARMACEUTICAL COMPOSITION AND ITS USE TILLOTTS PHARMA AG (CH) 2007-03-07 EP disclosed
WO-2005123060-A1 A PHARMACEUTICAL COMPOSITION AND ITS USE TILLOTTS PHARMA AG (CH) 2005-12-29 WO disclosed
WO-2005123061-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYUNSATURATED FATTY ACID AND AT LEAST ONE OF AN IMMUNOSUPPRESSIVE AGENT OR AN ANTINEOPLASTIC AGENT TILLOTTS PHARMA AG (CH) 2005-12-29 WO disclosed
US-5449703-A Acrylic monomer and free radical catalysts for dentures MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-09-12 US disclosed
US-5318999-A Denture base, liner or restorative, controlled curing MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-06-07 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-20160326092-A1 METHOD FOR PRODUCING HEXAMETHYLENEDIAMINE MUC1, HEXD, HEXA FFAR3 1798/4885TSHR 3756/4885KDM4E 3657/4885
US-20160311739-A1 METHOD FOR PREPARING 1,6-HEXANEDIOL MUC1, HEXD, HPD FFAR3 1885/4885TSHR 4434/4885KDM4E 4858/4885

“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.