SCHEMBL1318890

SCHEMBL1318890

O=[C]OCc1noc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
MAOB P27338 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.51
CYP3A4 P08684 1/20 0.51
BLM P54132 1/20 0.51
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 5/20 0.42

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
SCHEMBL10858769 0.77 LMNA (0.57) LMNACA12CA1CA2CA3
SCHEMBL323591 0.77 LMNA (0.53) LMNACA12CA1CA2CA3
SCHEMBL1759493 0.75 LMNA (0.50) LMNACA12CA1CA2CA3
SCHEMBL9935474 0.74 LMNA (0.62) LMNACA12CA1CA2CA3
SCHEMBL24796250 0.74 LMNA (0.50) LMNACA12CA1CA2CA3
SCHEMBL2411271 0.74 LMNA (0.54) LMNACA12CA1CA2CA3
SCHEMBL6989879 0.72 LMNA (0.55) LMNACA12CA1CA2CA3
SCHEMBL5315883 0.71 LMNA (0.58) LMNACA12CA1CA2CA3
SCHEMBL2372821 0.71 LMNA (0.62) LMNACA12CA1CA2CA3
SCHEMBL692195 0.71 LMNA (0.58) LMNACA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969739-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-05-15 US disclosed
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS UNIV NANYANG TECH (SG) 2016-07-21 US disclosed
US-9206090-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-12-08 US disclosed
US-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-11-03 US disclosed
WO-2010027334-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO disclosed
US-5912352-A CATALYTIC REDUCTION OF HYDRAZIDE TO HYDRAZINE DERIVATIVE IN PRESENCE OF COMPLEX HYDRIDE; ACYL MIGRATION; HYDROGENATION; CATALYST SELECTIVITY NOVARTIS FINANCE CORPORATION (US) 1999-06-15 US disclosed
WO-1997046514-A1 PROCESS FOR THE PREPARATION OF HYDRAZINE DERIVATIVES USEFUL AS INTERMEDIATES FOR THE PREPARATION OF PEPTIDE ANALOGUES NOVARTIS AG (CH) 1997-12-11 WO 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-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS SCO2, CBR3, HCCS LMNA 4107/4885CA12 81/4885CA1 286/4885
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS COX6C, CBR3, CYCS LMNA 2287/4885CA12 327/4885CA1 258/4885

“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.