SCHEMBL426482

SCHEMBL426482

O=C1CC(C2CCOCC2)C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
MAPK1 P28482 1/20 0.30

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
SCHEMBL1831360 0.90 MAPT (0.31) DAO
SCHEMBL3295691 0.80
SCHEMBL2016354 0.79 DAO (0.32) DAO
SCHEMBL1833159 0.77
SCHEMBL23682710 0.76 TTR (0.42)
SCHEMBL2074977 0.76 MAPK1 (0.35) MAPK1
SCHEMBL2074979 0.76 MAPK1 (0.35) MAPK1
SCHEMBL427801 0.75 ALDH1A1 (0.50) MAPK1
SCHEMBL10282070 0.73
SCHEMBL16878481 0.73

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
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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 (3 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 DAO 2197/4885MAPK1 3584/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 DAO 2197/4885MAPK1 3584/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 DAO 2197/4885MAPK1 3584/4885

“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.