SCHEMBL18159535

SCHEMBL18159535

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccc(-c6ccc7oc8ccc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)c9cccc(c%10cccc6c7%10)c89)c6cccc(c7cccc3c47)c56)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.37
PLA2G4A P47712 4/20 0.37
PLA2G10 O15496 1/20 0.37
ABCG2 Q9UNQ0 3/20 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
PRKDC P78527 4/20 0.35
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
CA12 O43570 1/20 0.34
TNKS O95271 1/20 0.34
CA1 P00915 1/20 0.34

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) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL21226907 0.97 PLA2G2A (0.37) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL18159539 0.97 PLA2G2A (0.40) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL18159559 0.91 PLA2G2A (0.41) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL18159532 0.89 PARP1 (0.37) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL16801040 0.87 PARP1 (0.38) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL18159553 0.85 PLA2G2A (0.37) PLA2G2APLA2G4APLA2G10ABCG2CYP1A1
SCHEMBL25660921 0.83 PLA2G2A (0.41) PLA2G2APLA2G4APLA2G10ABCG2AHR
SCHEMBL16801265 0.82 CRHBP (0.37) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL16801073 0.81 ALDH1A1 (0.40) ABCG2CYP1A1CYP1A2FYNMAPK3

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 4 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-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 (3 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-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.