SCHEMBL16419786

SCHEMBL16419786

CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccccc3)c2)OC1(C)C

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 14/20 0.72
▸ LPL P06858 13/20 0.72
▸ P4HB P07237 1/20 0.41
▸ DGAT1 O75907 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ F11 P03951 1/20 0.36

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
SCHEMBL23750178 0.98 LIPG (0.76) LIPGLPLP4HBDGAT1PDGFRB
SCHEMBL868327 0.96 LIPG (0.72) LIPGLPLP4HBDGAT1PDGFRB
SCHEMBL19106675 0.96 LIPG (0.72) LIPGLPLP4HBDGAT1PDGFRB
SCHEMBL19106678 0.96 LIPG (0.72) LIPGLPLP4HBDGAT1PDGFRB
SCHEMBL12619964 0.95 LIPG (0.66) LIPGLPLP4HBDGAT1PDGFRB
SCHEMBL20088883 0.94 LIPG (0.76) LIPGLPLP4HBDGAT1PDGFRB
SCHEMBL17726029 0.94 LIPG (0.76) LIPGLPLP4HBDGAT1PDGFRB
SCHEMBL17177868 0.94 LIPG (0.76) LIPGLPLP4HBDGAT1PDGFRB
SCHEMBL20088879 0.93 LIPG (0.68) LIPGLPLP4HBDGAT1PDGFRB
SCHEMBL18134363 0.93 LIPG (0.68) LIPGLPLP4HBDGAT1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220416172-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-12-29 — — US disclosed
US-11512076-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-11-29 — — US disclosed
US-20200172524-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-06-04 — — US disclosed
US-9469616-B2 Cyclic compounds and methods of making and using the same CELLCEUTIX CORPORATION (US) 2016-10-18 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — 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 (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-20220416172-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES NDUFS5, KCNJ2, EHMT2 LIPG 3001/4885LPL 3380/4885P4HB 2705/4885
US-11512076-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof PIEZO1, OCIAD1, LEF1 LIPG 1174/4885LPL 3024/4885P4HB 2018/4885
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MUC1, TLR3, ALG1 LIPG 2456/4885LPL 2572/4885P4HB 1302/4885
US-20200172524-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 LIPG 1174/4885LPL 3024/4885P4HB 2018/4885

“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.

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