SCHEMBL16925930

SCHEMBL16925930

O=c1oc2cc3c(cc2c2ccccc12)c1ccc(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)cc1n3-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ ALDH2 P05091 1/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.43
▸ RXFP1 Q9HBX9 3/20 0.43
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ NCOA2 Q15596 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 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
SCHEMBL16925905 0.95 KDM4E (0.45) KDM4EL3MBTL1ATMALDH2NPSR1
SCHEMBL16925933 0.95 KDM4E (0.45) KDM4EL3MBTL1ATMALDH2NPSR1
SCHEMBL16925779 0.94 KDM4E (0.51) KDM4EL3MBTL1ATMALDH2NPSR1
SCHEMBL17637970 0.92 NPSR1 (0.48) KDM4EL3MBTL1ATMALDH2NPSR1
SCHEMBL16925829 0.91 ALDH2 (0.44) KDM4EL3MBTL1ATMALDH2NPSR1
SCHEMBL16925714 0.90 KDM4E (0.45) KDM4EL3MBTL1ATMALDH2NPSR1
SCHEMBL16925924 0.90 ALDH2 (0.49) KDM4EL3MBTL1ATMALDH2NPSR1
SCHEMBL16925944 0.89 KDM4E (0.36) KDM4EL3MBTL1ATMALDH2NPSR1
SCHEMBL17637778 0.89 NPSR1 (0.47) KDM4EL3MBTL1ATMALDH2NPSR1
SCHEMBL16925932 0.89 KDM4E (0.46) KDM4EL3MBTL1ATMALDH2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000694-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-06-19 — — US disclosed
US-10000694-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-06-19 — — US disclosed
EP-3094703-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-02-07 — — EP disclosed
US-20160326429-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-11-10 — — US disclosed
WO-2015106789-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-07-23 — — 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 (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-10000694-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM KDM4E 1844/4885L3MBTL1 1317/4885ATM 2919/4885
US-20160326429-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM KDM4E 1844/4885L3MBTL1 1317/4885ATM 2919/4885

“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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