SCHEMBL16801416

SCHEMBL16801416

c1ccc2c(-c3ccc4cccc5c6cccc7ccc(-c8cccc9ccccc89)c(oc3c45)c76)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 6/20 0.48
CYP1A2 P05177 5/20 0.48
HPGD P15428 3/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 4/20 0.40
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAOA P21397 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ARSA P15289 1/20 0.40
CDC25A P30304 1/20 0.40

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
SCHEMBL16800893 0.83 CYP1A2 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL10028165 0.83 ARSA (0.43) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL10028183 0.83 MAOA (0.40) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL10028187 0.83 MAOA (0.40) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL27126211 0.82 CYP1A2 (0.40) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL27126291 0.82 CYP1A2 (0.40) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL27127212 0.82 CYP1A2 (0.40) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL21190538 0.81 ARSA (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL431460 0.80 PIK3CD (0.47) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL27126246 0.80 CYP1A2 (0.41) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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 ALDH1A1 1740/4885HSD17B10 4302/4885CYP1A2 885/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 ALDH1A1 1740/4885HSD17B10 4302/4885CYP1A2 885/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 ALDH1A1 1740/4885HSD17B10 4302/4885CYP1A2 885/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 ALDH1A1 1740/4885HSD17B10 4302/4885CYP1A2 885/4885

“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.