SCHEMBL1483076

SCHEMBL1483076

CC(C)(C)[Si](C)(C)OCc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CASP6 P55212 1/20 0.49
HCAR3 P49019 12/20 0.46
LMNA P02545 1/20 0.46
ALOX5 P09917 1/20 0.44
APEX1 P27695 1/20 0.43
PDK1 Q15118 1/20 0.43

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
SCHEMBL1483396 0.87 MAPT (0.46) LMNAPDK1
SCHEMBL4175596 0.80 CASP6 (0.58) TSHRCASP6HCAR3LMNAAPEX1
SCHEMBL1367139 0.79 EPHX2 (0.52) LMNA
SCHEMBL4952365 0.79 HCAR3 (0.47) TSHRCASP6HCAR3LMNAPDK1
SCHEMBL9161976 0.78 HTT (0.43) HCAR3APEX1
SCHEMBL13264670 0.78 CASP6 (0.55) TSHRCASP6HCAR3LMNAAPEX1
SCHEMBL6950169 0.78 CASP6 (0.55) TSHRCASP6HCAR3LMNAAPEX1
SCHEMBL8113531 0.78 VCAM1 (0.46) LMNA
SCHEMBL5468913 0.78 MEN1 (0.60) TSHRLMNA
SCHEMBL20214261 0.77 HCAR3 (0.44) TSHRCASP6HCAR3ALOX5PDK1

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
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 US disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 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 (5 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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 TSHR 43/4885CASP6 4240/4885HCAR3 374/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 TSHR 47/4885CASP6 4220/4885HCAR3 355/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 TSHR 44/4885CASP6 4224/4885HCAR3 378/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 TSHR 43/4885CASP6 4240/4885HCAR3 374/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 TSHR 43/4885CASP6 4240/4885HCAR3 374/4885

“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.