SCHEMBL16005606

SCHEMBL16005606

Cc1ccc(OC(=O)C(C)(C)C)cn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.56
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL18785798 0.82 ELANE (0.56) ELANE
SCHEMBL11790413 0.79 KMT2A (0.57) ELANEKMT2AMAPTMEN1CYP11B1
SCHEMBL7866641 0.79 KMT2A (0.57) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL29250860 0.78 KMT2A (0.49) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL22369614 0.78 ELANE (0.86) ELANE
SCHEMBL9413732 0.78 KMT2A (0.55) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL2525492 0.78 KMT2A (0.55) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL30566578 0.78 KMT2A (0.55) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL9517194 0.76 KMT2A (0.54) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL16005701 0.75 KMT2A (0.54) ELANEKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2774923-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE UNIV NAGOYA NAT UNIV CORP (JP) 2016-05-18 EP 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
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 (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-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE PAH, DDT, NISCH ELANE 468/4885KMT2A 760/4885MAPT 4092/4885

“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.