SCHEMBL8550622

SCHEMBL8550622

O=[N+]([O-])C1CCCCC1O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSR P00390 6/20 0.48
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
SLC18A3 Q16572 2/20 0.33
TSHR P16473 1/20 0.30
CASP6 P55212 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
SCHEMBL11784426 0.98 GSR (0.50) GSRMEN1KMT2ACA2CA1
SCHEMBL27256050 0.98 GSR (0.50) GSRMEN1KMT2ACA2CA1
SCHEMBL11881043 0.98 GSR (0.50) GSRMEN1KMT2ACA2CA1
SCHEMBL15494525 0.84
SCHEMBL9323765 0.81 GSR (0.36) GSRCASP6
Nitric Acid SCHEMBL9803591 0.76 GSR (0.54) GSRMEN1KMT2ACA2CA1
Nitric Acid SCHEMBL9874582 0.76 GSR (0.54) GSRMEN1KMT2ACA2CA1
SCHEMBL13322803 0.74 GSR (0.36) GSR
SCHEMBL16254272 0.72 GSR (0.45) GSRMEN1KMT2ACA2CA1
SCHEMBL19551024 0.72 GSR (0.45) GSRMEN1KMT2ACA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677714-B Intermediate in preparation of (+) -water podocarpine and application thereof 昆明医科大学 2024-06-11 CN disclosed
CN-115894507-B Synthesis method and application of (+) -water podocarpine 昆明医科大学 2024-06-07 CN disclosed
CN-115894507-A Method for synthesizing (+) -canna oensis alkali and application thereof 昆明医科大学 2023-04-04 CN disclosed
CN-115677714-A Intermediate in preparation of (+) -coprinus comatus alkali and application thereof 昆明医科大学 2023-02-03 CN disclosed
EP-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US 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
CN-1190390-A Nitric oxide synthase inhibitors derived from cyclic amidines SEARLE & CO (US) 1998-08-12 CN disclosed
EP-0824523-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. Searle & Co. (US) 1998-02-25 EP disclosed
WO-1996035677-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. SEARLE & CO. (US) 1996-11-14 WO disclosed
EP-0083332-A2 Asymmetric reduction of nitro-containing prochiral compounds MONSANTO COMPANY (US) 1983-07-06 EP disclosed
US-3950385-A Preparation of nitronitrates TEXACO INC. (US) 1976-04-13 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 (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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB GSR 1075/4885MEN1 2882/4885KMT2A 2195/4885

“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.