SCHEMBL4042446

SCHEMBL4042446

COC(=O)c1cnccc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 3/20 0.49
PTGS2 P35354 2/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KMT2A Q03164 2/20 0.48
TSPO P30536 3/20 0.47
OPRK1 P41145 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.46
CTNNB1 P35222 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL23012320 0.88 TDP1 (0.55) TDP1ALDH1A1HSD17B10MAPK1KDM4E
SCHEMBL15912467 0.85 PTGS1 (0.51) TDP1ALDH1A1HSD17B10KDM4EGLA
SCHEMBL2506700 0.84 CYP1A2 (0.52) ALDH1A1HSD17B10MAPK1PTGS1PTGS2
SCHEMBL2657045 0.84 KDM4C (0.56) TDP1ALDH1A1HSD17B10MAPK1KDM4E
SCHEMBL1513824 0.84 ALDH1A1 (0.50) TDP1ALDH1A1HSD17B10KDM4EGLA
SCHEMBL742273 0.81 CTNNB1 (0.65) TDP1ALDH1A1HSD17B10MAPK1KDM4E
SCHEMBL29139940 0.81 KMT2A (0.64) TDP1ALDH1A1HSD17B10MAPK1KDM4E
SCHEMBL2540179 0.80 CTNNB1 (0.62) TDP1HSD17B10MAPK1KDM4EKMT2A
SCHEMBL9646602 0.80 KDM4E (0.59) ALDH1A1HSD17B10MAPK1KDM4EGLA
SCHEMBL9486465 0.80 ALDH1A1 (0.45) TDP1ALDH1A1HSD17B10MAPK1PTGS1

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-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 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 (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-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE TDP1 1030/4885ALDH1A1 2036/4885HSD17B10 1220/4885

“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.