SCHEMBL17486341

SCHEMBL17486341

CC1(C)OC(C)(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cn3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NTSR1 P30989 1/20 0.36
LDHA P00338 1/20 0.35
HPGDS O60760 3/20 0.35
HDAC6 Q9UBN7 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 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
SCHEMBL17486212 0.83 MEN1 (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17486227 0.82 HSD17B1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17486108 0.81 FEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17486244 0.81 HSD17B1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17486329 0.81 RARB (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17486140 0.81 RARA (0.37) HSD17B1HSD17B2HPGDS
SCHEMBL23936762 0.79 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17485975 0.78 HSD17B1 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17485968 0.78 HSD17B1 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17486178 0.78 L3MBTL1 (0.47) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 WO 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 MEN1 989/4885KMT2A 2922/4885MAPT 1084/4885

“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.