SCHEMBL2607019

SCHEMBL2607019

CCOCC(COCC)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.41
PRKCG P05129 2/20 0.41
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 2/20 0.41
PRKCI P41743 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKCZ Q05513 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKD1 Q15139 2/20 0.41
LPAR1 Q92633 8/20 0.39
LPAR3 Q9UBY5 8/20 0.39
LPAR6 P43657 6/20 0.39
LPAR4 Q99677 6/20 0.39
LPAR5 Q9H1C0 6/20 0.39
LPAR2 Q9HBW0 6/20 0.39
AKT1 P31749 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL14904899 0.92 PRKD3 (0.41) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4547611 0.92 PRKD3 (0.41) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL14904902 0.92 PRKD3 (0.41) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8539607 0.88
SCHEMBL16580154 0.88
SCHEMBL18973933 0.84
SCHEMBL231223 0.84
SCHEMBL5832202 0.84
SCHEMBL16580160 0.84 PRKD3 (0.36) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL18973894 0.84

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
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20170217863-A1 FLUORINATED TENSIDES MERCK PATENT GMBH (DE) 2017-08-03 US disclosed
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2015-04-23 US disclosed
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 US disclosed
US-8158640-B2 Tetrahydroquinoline derivatives and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-17 US disclosed
US-8158640-B2 Tetrahydroquinoline derivatives and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-17 US disclosed
US-20110039828-A1 TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-17 US disclosed
US-20110039828-A1 TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-17 US disclosed
US-7872126-B2 Tetrahydroquinoline derivatives and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-7872126-B2 Tetrahydroquinoline derivatives and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US disclosed
US-20070082896-A1 Tetrahydroquinoline derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-04-12 US disclosed
US-20070082896-A1 Tetrahydroquinoline derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-04-12 US disclosed
EP-0153640-A2 Process for the preparation of 1,2,3,4,5,6,7,8-octahydro-anthrahydroquinones BAYER AG (DE) 1985-09-04 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 (5 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-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 PRKD3 2954/4885PRKCG 3942/4885PRKCB 3613/4885
US-20070082896-A1 Tetrahydroquinoline derivatives and a process for preparing the same CETP, MTTP, NPC1L1 PRKD3 2334/4885PRKCG 2574/4885PRKCB 2499/4885
US-20170217863-A1 FLUORINATED TENSIDES FLNA, KCNN3, FLNB PRKD3 3678/4885PRKCG 1094/4885PRKCB 1838/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 PRKD3 2954/4885PRKCG 3942/4885PRKCB 3613/4885
US-20110039828-A1 TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME CETP, MTTP, NPC1L1 PRKD3 2334/4885PRKCG 2574/4885PRKCB 2499/4885

“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.