SCHEMBL10046609

SCHEMBL10046609

COCCOCCOCC1(COCCOCCOC)c2ccccc2-c2cc(C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.44
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MDM2 Q00987 1/20 0.33
ELANE P08246 1/20 0.33
AR P10275 1/20 0.31

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
SCHEMBL18412146 0.95 PDK2 (0.41) PDK2MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL10046604 0.92 PDK2 (0.41) PDK2MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL6512868 0.87 APEX1 (0.37) PDK2MAPTALDH1A1SMN1; SMN2AR
SCHEMBL10020298 0.84 ALDH1A1 (0.35) PDK2MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL15891887 0.84 ALDH1A1 (0.35) PDK2MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL25133482 0.81 PDK2 (0.41) PDK2MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL14287922 0.81 PDK2 (0.41) PDK2MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL18412148 0.79 PDK2 (0.39) PDK2MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL10052530 0.78 PDK2 (0.44) PDK2MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL30177083 0.77 PDK2 (0.39) PDK2MAPTALDH1A1SMN1; SMN2KDM4E

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 38 patents — showing the first 20. 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
EP-2673249-B1 SUBSTITUTED DIBENZONAPHTHACENE MERCK PATENT GMBH (DE) 2019-04-03 EP disclosed
EP-2651862-B1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
US-9598637-B2 Phosphorus-containing metal complexes MERCK PATENT GMBH (DE) 2017-03-21 US disclosed
US-9598637-B2 Phosphorus-containing metal complexes MERCK PATENT GMBH (DE) 2017-03-21 US disclosed
EP-2896627-B1 Metals containing organic complexes MERCK PATENT GMBH (DE) 2016-12-21 EP disclosed
US-20160308146-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20130261708-A1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
US-20130261708-A1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
US-20130253617-A1 PHOSPHORUS-CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
US-20130253617-A1 PHOSPHORUS-CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
US-20130116755-A1 METAL COMPLEXES WITH ORGANIC LIGANDS AND USE THEREOF IN OLEDS MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
US-20130116755-A1 METAL COMPLEXES WITH ORGANIC LIGANDS AND USE THEREOF IN OLEDS MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
WO-2012107163-A1 SUBSTITUTED DIBENZONAPHTHACENE MERCK PATENT GMBH (DE) 2012-08-16 WO disclosed
WO-2012079678-A1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2012-06-21 WO disclosed
WO-2012038029-A1 PHOSPHORUS-CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-03-29 WO disclosed
WO-2012007103-A1 METAL COMPLEXES WITH ORGANIC LIGANDS AND USE THEREOF IN OLEDS MERCK PATENT GMBH (DE) 2012-01-19 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 PDK2 741/4885MAPT 1547/4885L3MBTL1 1480/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 PDK2 741/4885MAPT 1547/4885L3MBTL1 1480/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 PDK2 741/4885MAPT 1547/4885L3MBTL1 1480/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 PDK2 741/4885MAPT 1547/4885L3MBTL1 1480/4885

“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.