SCHEMBL18159649

SCHEMBL18159649

c1ccc2c(c1)-c1cc(-n3c4ccccc4c4ccccc43)ccc1Oc1ccc(-n3c4ccccc4c4ccccc43)cc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ EDNRA P25101 2/20 0.36
▸ EDNRB P24530 1/20 0.36
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ SETD7 Q8WTS6 1/20 0.33
▸ GPR3 P46089 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ HDAC4 P56524 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
SCHEMBL24306621 0.97 KDM4E (0.44) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL18159590 0.97 KDM4E (0.44) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL24307151 0.95 KDM4E (0.46) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL24306617 0.90 KDM4E (0.44) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL24306624 0.90 KDM4E (0.44) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL24306623 0.90 KDM4E (0.44) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL16801039 0.87 EDNRA (0.40) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL18159650 0.87 L3MBTL1 (0.40) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL16801462 0.87 L3MBTL1 (0.46) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL24307150 0.87 KDM4E (0.44) KDM4EATML3MBTL1EDNRAEDNRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 KDM4E 710/4885ATM 1550/4885L3MBTL1 1480/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 KDM4E 710/4885ATM 1550/4885L3MBTL1 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.

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