SCHEMBL13486703

SCHEMBL13486703

CC1(C)OC2(C=CC(=O)CC2)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32

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
SCHEMBL942492 0.75 ALOX5 (0.30) ALOX5
SCHEMBL16998562 0.70
SCHEMBL7511344 0.70 ALOX5 (0.35) ALOX5
SCHEMBL24483574 0.68
SCHEMBL12687982 0.68
SCHEMBL1666427 0.68 CYP19A1 (0.32) ALOX5
SCHEMBL9541235 0.66 ALDH1A1 (0.41) ALOX5
SCHEMBL13537199 0.65 ALOX5 (0.33) ALOX5
SCHEMBL3047562 0.65 ALOX5 (0.33) ALOX5
SCHEMBL15464308 0.64

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-8394995-B2 Process for preparation of carbonyl compound and pro-oxidant for preparation of carbonyl compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-03-12 US disclosed
US-8394995-B2 Process for preparation of carbonyl compound and pro-oxidant for preparation of carbonyl compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-03-12 US disclosed
EP-2085373-B1 METHOD FOR PRODUCING CARBONYL COMPOUND AN PRO-OXIDANT USED FOR PRODUCTION OF CARBONYL COMPOUND UNIV NAGOYA NAT UNIV CORP (JP) 2013-01-16 EP disclosed
US-20100041917-A1 PROCESS FOR PREPARATION OF CARBONYL COMPOUND AND PRO-OXIDANT FOR PREPARATION OF CARBONYL COMPOUND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-02-18 US disclosed
US-20100041917-A1 PROCESS FOR PREPARATION OF CARBONYL COMPOUND AND PRO-OXIDANT FOR PREPARATION OF CARBONYL COMPOUND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-02-18 US disclosed
EP-2085373-A1 METHOD FOR PRODUCING CARBONYL COMPOUND AN PRO-OXIDANT USED FOR PRODUCTION OF CARBONYL COMPOUND National University Corporation Nagoya University (JP) 2009-08-05 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-20100041917-A1 PROCESS FOR PREPARATION OF CARBONYL COMPOUND AND PRO-OXIDANT FOR PREPARATION OF CARBONYL COMPOUND CBR1, CBR3, NOX4 ALOX5 243/4885

“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.