SCHEMBL876080

SCHEMBL876080

OCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.57
LMNA P02545 1/20 0.56
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RAB9A P51151 1/20 0.53
THRB P10828 1/20 0.52
SCN9A Q15858 4/20 0.52
MAPK1 P28482 1/20 0.51
BCHE P06276 1/20 0.51
DAGLA Q9Y4D2 1/20 0.48

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
SCHEMBL18240090 0.92 PLAAT3 (0.59) LIPELMNAPLAAT3PLAAT5PLAAT2
SCHEMBL7937160 0.88 LIPE (0.59) LIPELMNAPLAAT3PLAAT5PLAAT2
SCHEMBL3966123 0.86 MAOB (0.57) LIPELMNAPLAAT3PLAAT5PLAAT2
SCHEMBL11351938 0.84 MAPT (0.69) LIPELMNAMAPTNPSR1RAB9A
SCHEMBL9108233 0.82 MAPT (0.57) LIPELMNAPLAAT3PLAAT5PLAAT2
SCHEMBL9108246 0.82 LMNA (0.63) LIPELMNAPLAAT3PLAAT5PLAAT2
SCHEMBL9108593 0.82 MAPT (0.57) LIPELMNAPLAAT3PLAAT5PLAAT2
SCHEMBL7943027 0.82 THRB (0.58) LIPELMNAPLAAT3PLAAT5PLAAT2
SCHEMBL31143143 0.82 MAPT (0.57) LIPELMNAPLAAT3PLAAT5PLAAT2
SCHEMBL9103930 0.82 SMN1; SMN2 (0.42) LIPELMNAPLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-8975400-B2 2,3-dihydroimidazo[1, 2-c] pyrimidin-5(1 H)-one compounds use as LP-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2015-03-10 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
US-5326766-A Fungicide, nematocide, insecticide, miticide DOWELANCO 1994-07-05 US disclosed
WO-1994004526-A1 4-[2-(4-(2-PYRIDINYLOXY)PHENYL)ETHOXY]-QUINAZOLINE AND ANALOGUES THEREOF DOWELANCO (US) 1994-03-03 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 (3 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 LIPE 74/4885LMNA 512/4885PLAAT3 56/4885
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 LIPE 46/4885LMNA 216/4885PLAAT3 65/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B LIPE 160/4885LMNA 471/4885PLAAT3 59/4885

“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.