SCHEMBL21999347

SCHEMBL21999347

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccccc7-c7ccccc7)cc6)cc5c34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
POLB P06746 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MAPT P10636 7/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
GGPS1 O95749 1/20 0.34
HTT P42858 1/20 0.34
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
PLA2G10 O15496 1/20 0.32

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
SCHEMBL17484088 0.95 ALOX5 (0.41) ALOX5POLBALDH1A1KDM4EMAPT
SCHEMBL21999592 0.95 ALOX5 (0.42) ALOX5POLBALDH1A1KDM4EPIM1
SCHEMBL21999481 0.95 ALOX5 (0.42) ALOX5POLBALDH1A1KDM4EPIM1
SCHEMBL21999334 0.93 ALOX5 (0.37) ALOX5POLBALDH1A1KDM4EPIM1
SCHEMBL22000218 0.93 PLA2G2A (0.35) POLBALDH1A1KDM4EPIM1CSNK2A2
SCHEMBL19130577 0.91 ALOX5 (0.42) ALOX5POLBALDH1A1KDM4EPIM1
SCHEMBL21425078 0.91 ALOX5 (0.47) ALOX5POLBALDH1A1KDM4EPIM1
SCHEMBL22248474 0.91 ALOX5 (0.47) ALOX5POLBALDH1A1KDM4EPIM1
SCHEMBL23822536 0.90 ALOX5 (0.45) ALOX5POLBALDH1A1KDM4EPIM1
SCHEMBL19802799 0.90 ALOX5 (0.45) ALOX5POLBALDH1A1KDM4EPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596066-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-05-18 EP disclosed
US-20200152883-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-14 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 (1 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-20200152883-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, TRDMT1, ESD ALOX5 1482/4885POLB 2909/4885ALDH1A1 702/4885

“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.