SCHEMBL2550806

SCHEMBL2550806

O=Cc1ccc(OCC2CC2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.49
TLR2 O60603 2/20 0.49
SIGMAR1 Q99720 2/20 0.47
PARP15 Q460N3 6/20 0.43
PARP10 Q53GL7 6/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKDC P78527 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP2 Q9UGN5 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2548484 0.86 HPGD (0.50) TLR4TLR2ALDH1A1MAPTCYP3A4
SCHEMBL13836687 0.84 SIGMAR1 (0.52) TLR4TLR2SIGMAR1PARP15PARP10
SCHEMBL2552169 0.80 SIGMAR1 (0.49) TLR4TLR2SIGMAR1PARP15PARP10
SCHEMBL9112139 0.80 SIGMAR1 (0.49) TLR4TLR2SIGMAR1PARP15PARP10
SCHEMBL27038419 0.80 SIGMAR1 (0.49) TLR4TLR2SIGMAR1PARP15PARP10
SCHEMBL5765504 0.80 SIGMAR1 (0.52) TLR4TLR2SIGMAR1PARP15PARP10
SCHEMBL30140325 0.80 SIGMAR1 (0.49) TLR4TLR2SIGMAR1PARP15PARP10
SCHEMBL9109238 0.80 MAPT (0.59) ALDH1A1MAPTCYP3A4HPGDKDM4E
SCHEMBL2545470 0.78 SIGMAR1 (0.47) TLR4TLR2SIGMAR1PARP15PARP10
SCHEMBL2558176 0.77 PARP10 (0.49) TLR4TLR2SIGMAR1PARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
CN-103025716-B Bicyclic compound derivatives and their use as acc inhibitors TAKEDA PHARMACEUTICAL 2014-12-24 CN disclosed
CN-103347872-B Bicyclic compound TAKEDA PHARMACEUTICAL 2014-12-24 CN 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
EP-2649062-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Takeda Pharmaceutical Company Limited (JP) 2013-10-16 EP disclosed
CN-103347872-A Bicyclic compound TAKAEDA CHEMICAL IND LTD 2013-10-09 CN disclosed
WO-2012074126-A9 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-06 WO disclosed
CN-103025716-A Bicyclic compound derivatives and their use as acc inhibitors TAKEDA PHARMACEUTICAL 2013-04-03 CN disclosed
EP-2563765-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP 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
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 WO 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 TLR4 3077/4885TLR2 3575/4885SIGMAR1 4827/4885
US-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 TLR4 2733/4885TLR2 3163/4885SIGMAR1 4230/4885

“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.