SCHEMBL8723100

SCHEMBL8723100

CCCCCCCCCOC(=O)OC(=O)OCCCCCCCCC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.68
EPHX1 P07099 1/20 0.57
TSHR P16473 3/20 0.55
HCAR2 Q8TDS4 1/20 0.52
RAD52 P43351 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ACHE P22303 6/20 0.50
ALDH1A1 P00352 2/20 0.50
FAAH O00519 1/20 0.50
DGKA P23743 1/20 0.50
LMNA P02545 1/20 0.50
SOAT1 P35610 1/20 0.50

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
SCHEMBL8724266 1.00 NAAA (0.68) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL8722217 1.00 NAAA (0.68) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL8726313 1.00 NAAA (0.68) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL14245528 1.00 NAAA (0.68) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL8726315 1.00 NAAA (0.68) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL27282395 1.00 NAAA (0.68) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL509647 0.98 NAAA (0.64) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL5493391 0.94 SOAT1 (0.62) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL5491656 0.94 SOAT1 (0.62) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL5492722 0.92 NAAA (0.59) NAAAEPHX1TSHRHCAR2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537839-B1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-12-14 EP disclosed
US-9212174-B2 Certain β-dihydrofuran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
EP-2537839-A1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-20 US disclosed
US-5811503-A FOR PHOTOCHROMIC ARTICLES, LENSES PPG INDUSTRIES, INC. (US) 1998-09-22 US disclosed
US-5708064-A CONTAINING THERMOSETTING RESIN PPG INDUSTRIES, INC. (US) 1998-01-13 US disclosed
EP-0667851-B1 METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID PPG INDUSTRIES INC (US) 1997-09-17 EP disclosed
EP-0667851-A1 METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID. PPG INDUSTRIES INC (US) 1995-08-23 EP disclosed
EP-0667851-A4 METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID. PPG INDUSTRIES INC (US) 1995-05-08 EP disclosed
WO-1995010790-A1 HIGH REFRACTIVE INDEX PHOTOCHROMIC OPHTHALMIC ARTICLE PPG INDUSTRIES, INC. (US) 1995-04-20 WO disclosed
WO-1994006749-A1 METHOD FOR PREPARING DI(ORGANO) ESTERS OF PYROCARBONIC ACID PPG INDUSTRIES, INC. (US) 1994-03-31 WO disclosed
WO-1994001470-A1 POLYMERIZABLE COMPOSITION PPG INDUSTRIES, INC. (US) 1994-01-20 WO disclosed
US-5246630-A Allyl carbonate polyurethanes and photochromic compounds for optical lenses PPG INDUSTRIES, INC. (US) 1993-09-21 US disclosed
US-5231211-A Polyetheramine catalysts for reaction of organohaloformates PPG INDUSTRIES, INC. (US) 1993-07-27 US disclosed
US-5221721-A Triphenyl phosphite added to a mixture of a poly(allyl carbonate compound, an unsaturated polyurethane and an organic pyrocarbonate; optical lenses; discoloration inhibition; heat resistance PPG INDUSTRIES, INC. (US) 1993-06-22 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 (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-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF DHPS, B4GALT1, STT3A NAAA 1224/4885EPHX1 1218/4885TSHR 2531/4885

“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.