SCHEMBL18159539

SCHEMBL18159539

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4ccc5oc6ccc(-c7cc(-c8cccc(-c9ccccc9)c8)cc(-c8cccc(-c9ccccc9)c8)c7)c7cccc(c8cccc4c58)c67)c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.40
PLA2G4A P47712 4/20 0.40
PLA2G10 O15496 1/20 0.40
PRKDC P78527 3/20 0.37
PGR P06401 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 1/20 0.36
MAPK3 P27361 1/20 0.36
AHR P35869 1/20 0.36
PAX8 Q06710 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSMB8 P28062 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL16801324 0.98 PLA2G2A (0.38) PLA2G2APLA2G4APLA2G10PRKDCPGR
SCHEMBL21226907 0.97 PLA2G2A (0.37) PLA2G2APLA2G4APLA2G10PRKDCPGR
SCHEMBL18159535 0.97 PLA2G2A (0.37) PLA2G2APLA2G4APLA2G10PRKDCPGR
SCHEMBL18159559 0.95 PLA2G2A (0.41) PLA2G2APLA2G4APLA2G10PRKDCPGR
SCHEMBL16801040 0.87 PARP1 (0.38) PLA2G2APLA2G4APLA2G10PRKDCABCG2
SCHEMBL18159553 0.85 PLA2G2A (0.37) PLA2G2APLA2G4APLA2G10PRKDCABCG2
SCHEMBL18159532 0.85 PARP1 (0.37) PLA2G2APLA2G4APLA2G10PRKDCABCG2
SCHEMBL18159548 0.81 ALDH1A1 (0.38) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL25660921 0.80 PLA2G2A (0.41) PLA2G2APLA2G4APLA2G10PRKDCABCG2
SCHEMBL18820488 0.80 PLA2G2A (0.45) PLA2G2APLA2G4APLA2G10PRKDCPGR

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-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

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 PLA2G2A 3300/4885PLA2G4A 3696/4885PLA2G10 4376/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 PLA2G2A 3300/4885PLA2G4A 3696/4885PLA2G10 4376/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 PLA2G2A 3300/4885PLA2G4A 3696/4885PLA2G10 4376/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 PLA2G2A 3300/4885PLA2G4A 3696/4885PLA2G10 4376/4885

“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.