SCHEMBL6716574

SCHEMBL6716574

COc1cccc(OC)c1-c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.50
ANO2 Q9NQ90 1/20 0.50
RORC P51449 1/20 0.49
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HTT P42858 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
TTR P02766 1/20 0.46
EIF4E P06730 1/20 0.46

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
SCHEMBL6716569 1.00 ANO1 (0.50) ANO1ANO2RORCCTSVCTSL
SCHEMBL13743284 0.89 ANO1 (0.47) ANO1ANO2RORCCTSVCTSL
SCHEMBL6716868 0.88 RORC (0.51) RORCALDH1A1MAPTAKR1C3AKR1C2
SCHEMBL27495943 0.86 LMNA (0.48) ANO1ANO2RORCCTSVCTSL
SCHEMBL6648178 0.83 CTSV (0.49) ANO1ANO2RORCCTSVCTSL
SCHEMBL4640407 0.83 PKM (0.53) ANO1ANO2CTSVCTSLALDH1A1
SCHEMBL6648363 0.82 CTSV (0.59) ANO1ANO2CTSVCTSLALDH1A1
SCHEMBL6652235 0.82 CTSV (0.47) ANO1ANO2RORCCTSVCTSL
SCHEMBL6647924 0.82 MAPT (0.50) ANO1ANO2CTSVCTSLALDH1A1
SCHEMBL1671926 0.81 CTSV (0.60) ANO1ANO2CTSVCTSLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069427-A1 Process for the preparation of 5-(substituted)-10 methoxy-2,2,4-trimethyl-2,5-dihydro- 1H-chromeno [3,4-f] quinolines and derivatives thereof ABBVIE INC. 2003-04-10 US claimed
US-6518430-B1 The present invention relates to an efficient process for the preparation of 5-(substituted)-10-methoxy-2,2,4-trimethyl-2,5- dihydro-1H-chromeno(3,4-f)quinolines. ABBOTT LABORATORIES 2003-02-11 US claimed
US-6673930-B2 PREPARING A SELECTIVE GLUCOCORTICOID RECEPTOR AGENTS BY CYCLIZATION, DEHALOGENATION, AMINATION, ETHERIFICATION, HYDROXYLATION ABBVIE INC. 2004-01-06 US disclosed
US-20030069427-A1 Process for the preparation of 5-(substituted)-10 methoxy-2,2,4-trimethyl-2,5-dihydro- 1H-chromeno [3,4-f] quinolines and derivatives thereof ABBVIE INC. 2003-04-10 US disclosed
WO-2003027117-A1 A PROCESS FOR THE PREPARATION OF 5-(SUBSTITUTED)-10-METHOXY-2,2,4-TRIMETHYL-2,5-DIHYDRO-1H-CHROMENO[3,4-F]QUINOLINES AND DERIVATIVES THEREOF ABBOTT LABORATORIES (US) 2003-04-03 WO disclosed
US-6518430-B1 The present invention relates to an efficient process for the preparation of 5-(substituted)-10-methoxy-2,2,4-trimethyl-2,5- dihydro-1H-chromeno(3,4-f)quinolines. ABBOTT LABORATORIES 2003-02-11 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-20030069427-A1 Process for the preparation of 5-(substituted)-10 methoxy-2,2,4-trimethyl-2,5-dihydro- 1H-chromeno [3,4-f] quinolines and derivatives thereof HTR3C, CYP3A5, NQO2 ANO1 2765/4885ANO2 1551/4885RORC 1836/4885

“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.