SCHEMBL305164

SCHEMBL305164

CCCCCCCCC(O)O[C]=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.45
FFAR1 O14842 2/20 0.45
MAPT P10636 1/20 0.44
SMPD1 P17405 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FDPS P14324 3/20 0.41
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL5844868 1.00 GPR84 (0.45) GPR84FFAR1MAPTSMPD1FFAR4
SCHEMBL7543272 1.00 GPR84 (0.45) GPR84FFAR1MAPTSMPD1FFAR4
SCHEMBL304347 1.00 GPR84 (0.45) GPR84FFAR1MAPTSMPD1FFAR4
SCHEMBL303234 1.00 GPR84 (0.45) GPR84FFAR1MAPTSMPD1FFAR4
SCHEMBL303992 1.00 GPR84 (0.45) GPR84FFAR1MAPTSMPD1FFAR4
SCHEMBL303035 0.98 GPR84 (0.42) GPR84FFAR1MAPTSMPD1FFAR4
SCHEMBL303933 0.91
SCHEMBL302818 0.82
SCHEMBL9766360 0.79 GPR84 (0.41) GPR84FFAR1MAPTSMPD1FFAR4
SCHEMBL9766333 0.79 GPR84 (0.41) GPR84FFAR1MAPTSMPD1FFAR4

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-8669375-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-14 US disclosed
US-8318964-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-8093422-B2 Method for deuteration of an aromatic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-23 US disclosed
US-7618914-B2 Method for producing hydroxylamine compound using platinum catalyst fixed on ion-exchange resin WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-17 US disclosed
US-7517990-B2 Method for deuteration of a heterocyclic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20080145303-A1 Method for Producing Deuterium Gas and Catalytic Deuteration Method Using Deuterium Gas Obtained Thereby WAKO PURE CHEMICAL INDUSSRIES, LTD. (JP) 2008-06-19 US disclosed
US-20020062012-A1 Novel azoamidine compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-23 US disclosed
EP-1195376-A1 Azoamidine compounds and their use as polymerization initiators Wako Pure Chemical Industies, Ltd. (JP) 2002-04-10 EP disclosed
EP-0939075-B1 A novel azoamidine compound WAKO PURE CHEM IND LTD (JP) 2002-01-09 EP disclosed
US-6049003-A POLYMERIZATION INITIATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-11 US disclosed
US-6031084-A Azoamide compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed
EP-0779318-B1 Silicon-containing block copolymer WAKO PURE CHEMICAL INDUSTIES L (JP) 2000-02-16 EP disclosed
EP-0957114-A1 Azoamide compounds and their use as polymerisation initiators Wako Pure Chemical Industries, Ltd. (JP) 1999-11-17 EP disclosed
EP-0939075-A1 A novel azoamidine compound Wako Pure Chemical Industries, Ltd. (JP) 1999-09-01 EP disclosed
US-5760136-A FORMING AN ADDITION-CONDENSATION COPOLYMER BY POLYMERIZING AN AZO-CONTAINING POLYSILOXANE AND AN UNSATURATED MONOMER; CATIONIC AND NONIONIC POLYMERS; POLYAMPHOLYTES; COATINGS; ADHESIVES; PAINTS; HAIR COSMETICS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-02 US disclosed
EP-0779318-A1 Silicon-containing block copolymer Wako Pure Chemical Industries, Ltd. (JP) 1997-06-18 EP 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 (4 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-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A GPR84 1766/4885FFAR1 409/4885MAPT 1394/4885
US-20080145303-A1 Method for Producing Deuterium Gas and Catalytic Deuteration Method Using Deuterium Gas Obtained Thereby HDHD5, IDH2, IDH1 GPR84 2382/4885FFAR1 4263/4885MAPT 4759/4885
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 GPR84 2786/4885FFAR1 4737/4885MAPT 4578/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A GPR84 1775/4885FFAR1 451/4885MAPT 1821/4885

“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.