SCHEMBL16800976

SCHEMBL16800976

c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccccc5)cc(-c5ccccc5)c5cccc(c6cccc2c36)c54)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MPI P34949 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
ADORA3 P0DMS8 3/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
PARP1 P09874 2/20 0.38
CYP1B1 Q16678 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38

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 0.93 PLA2G2A (0.36) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16800982 0.91 PLA2G2A (0.39) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16801111 0.88 CYP1A2 (0.41) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16800980 0.88 KDM4E (0.47) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16801443 0.87 GSTP1 (0.42) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16801195 0.86 ALDH1A1 (0.45) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16801230 0.85 MAOB (0.40) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL16801600 0.85 ALDH1A1 (0.39) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL18159582 0.82 MEN1 (0.38) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL10028166 0.79 GPR84 (0.36) HPGDKDM4EALDH1A1MEN1MAPT

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 HPGD 907/4885KDM4E 710/4885ALDH1A1 1740/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 HPGD 907/4885KDM4E 710/4885ALDH1A1 1740/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 HPGD 907/4885KDM4E 710/4885ALDH1A1 1740/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 HPGD 907/4885KDM4E 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.