SCHEMBL19239454

SCHEMBL19239454

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 7/20 0.36
CDC14B O60729 2/20 0.35
CDC14A Q9UNH5 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 3/20 0.34
LMNA P02545 3/20 0.34
GGPS1 O95749 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
BACE1 P56817 1/20 0.33
MAPK1 P28482 1/20 0.33
PRKDC P78527 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 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
SCHEMBL17524737 0.96 ALOX5 (0.43) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL17524778 0.92 TSHR (0.36) ALDH1A1POLBKDM4EMAPTNPSR1
SCHEMBL25645966 0.91 ALOX5 (0.48) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL21149262 0.90 ALOX5 (0.46) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL22247883 0.90 ALOX5 (0.49) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL19130577 0.90 ALOX5 (0.42) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL21999481 0.90 ALOX5 (0.42) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL21999592 0.90 ALOX5 (0.42) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL19239464 0.89 ALOX5 (0.39) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL17752914 0.89 ALOX5 (0.45) ALOX5ALDH1A1POLBKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9876181-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-01-23 US disclosed
US-9876181-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-01-23 US disclosed
US-20170237017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20170237017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-08-17 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-20170237017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, ETFA, TST ALOX5 890/4885ALDH1A1 306/4885POLB 1725/4885

“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.