SCHEMBL19794516

SCHEMBL19794516

c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc%10c9oc9ccccc9%10)n8)cn7)cc6)cc(-c6ccccc6-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc%10c9oc9ccccc9%10)n8)cn7)cc6)c5)cc4)nc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
MAPT P10636 7/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 4/20 0.35
LMNA P02545 4/20 0.35
KMT2A Q03164 3/20 0.35
GGPS1 O95749 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
GLA P06280 1/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.34
PRKDC P78527 2/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL19794515 0.97 ALOX5 (0.45) ALOX5MAPTALDH1A1KDM4EHDAC6
SCHEMBL19794476 0.90 MAPT (0.41) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL18015610 0.86 ALOX5 (0.41) ALOX5MAPTALDH1A1POLBNPSR1
SCHEMBL29292972 0.86 MEN1 (0.38) ALOX5MAPTALDH1A1KDM4EHDAC6
SCHEMBL22276558 0.85 ALOX5 (0.41) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL21304237 0.85 ALOX5 (0.52) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL22888668 0.85 ALOX5 (0.49) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL22888720 0.85 ALOX5 (0.52) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL22889030 0.85 ALOX5 (0.52) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL22889101 0.84 ALOX5 (0.51) ALOX5MAPTALDH1A1KDM4EPOLB

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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC ALOX5 3634/4885MAPT 2450/4885ALDH1A1 2742/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 ALOX5 4152/4885MAPT 639/4885ALDH1A1 2597/4885

“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.