Sugi Predict

Sugi Predict / Compounds / SCHEMBL16800982

SCHEMBL16800982

SCHEMBL16800982

c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cccc5c6cccc7c(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc(-c8ccc(-c9ccccc9)cc8)c(oc3c45)c76)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 4/20 0.39
▸ PLA2G4A P47712 4/20 0.39
▸ PLA2G10 O15496 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ GPR84 Q9NQS5 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PRKDC P78527 3/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL21226933 0.98 PLA2G2A (0.36) PLA2G2APLA2G4APLA2G10HPGDKDM4E
SCHEMBL16800976 0.91 HPGD (0.40) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16800980 0.84 KDM4E (0.47) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16801443 0.83 GSTP1 (0.42) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL18159582 0.81 MEN1 (0.38) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16801111 0.81 CYP1A2 (0.41) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL22182837 0.79 ALOX5 (0.49) PLA2G2APLA2G4APLA2G10KDM4EALDH1A1
SCHEMBL16801195 0.79 ALDH1A1 (0.45) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16801230 0.78 MAOB (0.40) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL21226907 0.78 PLA2G2A (0.37) PLA2G2APLA2G4APLA2G10HPGDKDM4E

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 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.