SCHEMBL21660554

SCHEMBL21660554

c1ccc2c(c1)cc1c3ccccc3nc-1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
CACNG2 Q9Y698 1/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PTGER4 P35408 1/20 0.39
HDAC4 P56524 1/20 0.38
MAPK1 P28482 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
SCHEMBL21660630 0.90 KDM4E (0.46) KDM4EESR1ESR2ATML3MBTL1
SCHEMBL21660657 0.89 RECQL (0.51) KDM4EESR1ESR2ATML3MBTL1
SCHEMBL21660560 0.87 ESR1 (0.44) KDM4EESR1ESR2L3MBTL1KMT2A
SCHEMBL21660629 0.87 PTGER4 (0.43) KDM4EESR1ESR2ATML3MBTL1
SCHEMBL21660627 0.84 KDM4E (0.43) KDM4EESR1ESR2KMT2AMEN1
SCHEMBL21660473 0.84 KMT2A (0.46) KDM4EESR1ESR2L3MBTL1KMT2A
SCHEMBL21660757 0.84 MAPT (0.41) KDM4EESR1ESR2ATML3MBTL1
SCHEMBL21660681 0.81 PTGER4 (0.39) KDM4EESR1ESR2ATML3MBTL1
SCHEMBL10055038 0.80 ESR1 (0.64) KDM4EESR1ESR2ATML3MBTL1
SCHEMBL12205094 0.80 ESR1 (0.64) KDM4EESR1ESR2ATML3MBTL1

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
EP-3583104-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-09 EP disclosed
US-10923665-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-02-16 US disclosed
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-06 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-10923665-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM KDM4E 1917/4885ESR1 78/4885ESR2 244/4885
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM KDM4E 1917/4885ESR1 78/4885ESR2 244/4885

“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.