SCHEMBL16925829

SCHEMBL16925829

O=c1oc2cc3c(cc2c2ccccc12)c1ccccc1n3-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ RXFP1 Q9HBX9 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ NCOA2 Q15596 2/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL16925924 0.93 ALDH2 (0.49) ALDH2KDM4EL3MBTL1ATMNPSR1
SCHEMBL16925779 0.92 KDM4E (0.51) ALDH2KDM4EL3MBTL1ATMNPSR1
SCHEMBL16925933 0.91 KDM4E (0.45) ALDH2KDM4EL3MBTL1ATMNPSR1
SCHEMBL16925930 0.91 KDM4E (0.45) ALDH2KDM4EL3MBTL1ATMNPSR1
SCHEMBL16925927 0.91 ALDH2 (0.43) ALDH2KDM4EL3MBTL1ATMNPSR1
SCHEMBL16925932 0.90 KDM4E (0.46) ALDH2KDM4EL3MBTL1ATMNPSR1
SCHEMBL23058484 0.88 L3MBTL1 (0.53) KDM4EL3MBTL1ATMLMNAKMT2A
SCHEMBL16925864 0.87 ALDH2 (0.46) ALDH2KDM4EL3MBTL1ATMNPSR1
SCHEMBL16925677 0.87 KDM4E (0.51) ALDH2KDM4EL3MBTL1ATMNPSR1
SCHEMBL16925905 0.86 KDM4E (0.45) ALDH2KDM4EL3MBTL1ATMNPSR1

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 ALDH2 255/4885KDM4E 1844/4885L3MBTL1 1317/4885
US-20160326429-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ALDH2 255/4885KDM4E 1844/4885L3MBTL1 1317/4885

“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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