SCHEMBL9909857

SCHEMBL9909857

O=CC1CCCCC1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.32
ADH1B P00325 2/20 0.31
ADH1C P00326 2/20 0.31
ADH1A P07327 2/20 0.31
ADH7 P40394 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
ADH4 P08319 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
SCHEMBL17533431 0.79
SCHEMBL9323765 0.77 GSR (0.36) CASP6POLBGAA
SCHEMBL12241917 0.77
SCHEMBL12241916 0.75
SCHEMBL11805003 0.72
SCHEMBL11804996 0.72
SCHEMBL14610674 0.72
SCHEMBL918192 0.71 ADH1A (0.38) ADH1BADH1CADH1AADH7ADH4
SCHEMBL16256831 0.71 ADH1A (0.38) ADH1BADH1CADH1AADH7ADH4
SCHEMBL918191 0.71 ADH1A (0.38) ADH1BADH1CADH1AADH7ADH4

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-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
WO-2012074126-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 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 (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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CASP6 2989/4885ADH1B 1918/4885ADH1C 427/4885
US-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 CASP6 1974/4885ADH1B 838/4885ADH1C 231/4885

“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.