SCHEMBL12424945

SCHEMBL12424945

CC1(C)OB(c2ccc(-c3ccc4ccc5ccccc5c4n3)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.56
LPL P06858 12/20 0.56
DGAT1 O75907 1/20 0.44
SNCA P37840 1/20 0.36
P4HB P07237 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL29519081 0.87 LIPG (0.66) LIPGLPLDGAT1SNCAP4HB
SCHEMBL19762966 0.87 LIPG (0.66) LIPGLPLDGAT1SNCAP4HB
SCHEMBL28921590 0.83 LPL (0.46) LIPGLPLDGAT1SNCAP4HB
SCHEMBL29629056 0.83 LPL (0.46) LIPGLPLDGAT1SNCAP4HB
SCHEMBL9960413 0.83 LIPG (0.51) LIPGLPLDGAT1SNCA
SCHEMBL2022030 0.82 LPL (0.60) LIPGLPLDGAT1SNCA
SCHEMBL14995666 0.81 LIPG (0.56) LIPGLPLDGAT1SNCAP4HB
SCHEMBL31572014 0.81 LIPG (0.49) LIPGLPLDGAT1SNCAP4HB
SCHEMBL24609800 0.79 LIPG (0.48) LIPGLPLDGAT1SNCAP4HB
SCHEMBL27361503 0.78 LPL (0.52) LIPGLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 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-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME OR10J3, USE1, NOTUM LIPG 1928/4885LPL 3043/4885DGAT1 664/4885

“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.