SCHEMBL16005349

SCHEMBL16005349

COc1ccc(OC(=O)C(C)(C)C)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.54
▸ PLK1 P53350 1/20 0.50
▸ HPGDS O60760 1/20 0.49
▸ CDC25B P30305 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ EP300 Q09472 1/20 0.46
▸ KAT8 Q9H7Z6 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ CYP2C9 P11712 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ STAT6 P42226 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ IMPDH2 P12268 1/20 0.43

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
SCHEMBL18785662 0.84 ELANE (0.53) ELANEIDO1MAPTKMT2AESR1
SCHEMBL18135088 0.83 HPGDS (0.48) PLK1HPGDSCDC25BIDO1EP300
SCHEMBL12618370 0.83 ELANE (0.65) ELANEMAPTKMT2AALDH1A1LMNA
SCHEMBL30064961 0.83 IDO1 (0.53) ELANEIDO1EP300KAT8ALDH1A1
SCHEMBL28298353 0.83 PKM (0.62) ELANELMNA
SCHEMBL22555047 0.83 IDO1 (0.53) ELANEIDO1EP300KAT8ALDH1A1
SCHEMBL9627462 0.82 ELANE (0.47) ELANEPLK1IDO1CYP2C9ALDH1A1
SCHEMBL9627630 0.82 ELANE (0.47) ELANEPLK1EP300MAPTESR1
SCHEMBL16236423 0.81 MAPT (0.65) ELANEMAPTHPGDKMT2ACYP2C9
SCHEMBL19244670 0.81 PLK1 (0.56) PLK1HPGDSCDC25BIDO1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016159576-A2 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME 주식회사 케이티앤지생명과학 2016-10-06 — — WO disclosed
EP-2774923-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE UNIV NAGOYA NAT UNIV CORP (JP) 2016-05-18 — — EP disclosed
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-03-17 — — US disclosed
US-8993777-B2 Method for producing phenyl-substituted heterocyclic derivative NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-03-31 — — US disclosed
US-8993777-B2 Method for producing phenyl-substituted heterocyclic derivative NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-03-31 — — US disclosed
US-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-09-18 — — US disclosed
US-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-09-18 — — US disclosed
EP-2774923-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE National University Corporation Nagoya University (JP) 2014-09-10 — — 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 (2 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-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NISCH, DDT, TEC ELANE 1846/4885PLK1 1133/4885HPGDS 1872/4885
US-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE PAH, DDT, NISCH ELANE 468/4885PLK1 2152/4885HPGDS 433/4885

“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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