SCHEMBL3311829

SCHEMBL3311829

CC(C)(C)OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 2/20 0.48
▸ MPO P05164 2/20 0.48
▸ GLA P06280 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ RNASEH1 O60930 1/20 0.47
▸ ERCC1 P07992 1/20 0.47
▸ ERCC5 P28715 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ CA9 Q16790 1/20 0.47

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
SCHEMBL32680072 0.85 CYP1A2 (0.61) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3312291 0.85 CYP1A2 (0.61) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3591401 0.84 MEN1 (0.55) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL13332558 0.83 CYP1A2 (0.62) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3310952 0.83 KDM4E (0.43) CYP1A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11985495 0.80 CYP1A2 (0.67) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3311126 0.80 KDM4E (0.46) CYP1A2ALDH1A1KDM4EKMT2AADORA3
SCHEMBL15157018 0.80 DAO (0.49) CYP1A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3311524 0.79 ALDH1A1 (0.73) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL14945700 0.77 ERCC1 (0.49) ALDH1A1KDM4EERCC1ERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 — — US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 — — US disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 — — US disclosed
EP-2132186-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis AG (CH) 2009-12-16 — — EP disclosed
WO-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 — — 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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 CYP1A2 539/4885ALDH1A1 1798/4885KDM4E 3052/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 CYP1A2 576/4885ALDH1A1 1837/4885KDM4E 2815/4885

“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.

Send feedback