SCHEMBL21999592

SCHEMBL21999592

c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
ALDH1A1 P00352 3/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GGPS1 O95749 1/20 0.35
PLA2G2A P14555 2/20 0.35
PLA2G4A P47712 2/20 0.35
MAPT P10636 7/20 0.35
HPGD P15428 2/20 0.34
PLA2G10 O15496 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 3/20 0.33
LMNA P02545 3/20 0.33
PRKDC P78527 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL21999481 1.00 ALOX5 (0.42) ALOX5ALDH1A1POLBKDM4EPIM1
SCHEMBL19130577 0.96 ALOX5 (0.42) ALOX5ALDH1A1POLBKDM4EPIM1
SCHEMBL21999347 0.95 ALOX5 (0.40) ALOX5ALDH1A1POLBKDM4EPIM1
SCHEMBL17524737 0.94 ALOX5 (0.43) ALOX5ALDH1A1POLBKDM4EGGPS1
SCHEMBL22248474 0.94 ALOX5 (0.47) ALOX5ALDH1A1POLBKDM4EPIM1
SCHEMBL21425078 0.94 ALOX5 (0.47) ALOX5ALDH1A1POLBKDM4EPIM1
SCHEMBL23820282 0.93 ALOX5 (0.45) ALOX5ALDH1A1POLBKDM4EPIM1
SCHEMBL19802799 0.93 ALOX5 (0.45) ALOX5ALDH1A1POLBKDM4EPIM1
SCHEMBL23822536 0.93 ALOX5 (0.45) ALOX5ALDH1A1POLBKDM4EPIM1
SCHEMBL26178121 0.93 ALOX5 (0.45) ALOX5ALDH1A1POLBKDM4EPIM1

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 1482/4885ALDH1A1 702/4885POLB 2909/4885

“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.