SCHEMBL16801079

SCHEMBL16801079

c1ccc2c(c1)oc1ccc(-c3ccc4oc5ccc(-c6ccc7oc8ccccc8c7c6)c6cccc(c7cccc3c47)c56)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49
ALOX5 P09917 2/20 0.45
AHR P35869 2/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLA2G2A P14555 3/20 0.40
PLA2G4A P47712 3/20 0.40
PLA2G10 O15496 1/20 0.40
CDC25A P30304 1/20 0.39

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
SCHEMBL16801512 0.94 MAPT (0.44) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18159573 0.92 AHR (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18159552 0.90 HPGD (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21034881 0.88 MAPT (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21190537 0.87 MAPT (0.46) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21035278 0.87 ALOX5 (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4567321 0.86 CRHBP (0.43) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17229035 0.86 ALOX5 (0.49) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15164540 0.86 ALOX5 (0.49) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24735024 0.86 PLA2G2A (0.45) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-20190280218-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2019-09-12 US disclosed
US-10374170-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2019-08-06 US disclosed
US-20160308146-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20160308146-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
WO-2015082046-A2 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2015-06-11 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 (4 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-11917913-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 MAPT 1547/4885KDM4E 710/4885ALDH1A1 1740/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 MAPT 1547/4885KDM4E 710/4885ALDH1A1 1740/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 MAPT 1547/4885KDM4E 710/4885ALDH1A1 1740/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 MAPT 1547/4885KDM4E 710/4885ALDH1A1 1740/4885

“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.