SCHEMBL17486238

SCHEMBL17486238

CC1(C)c2ccc(-c3ccc(-c4nc(-c5cccc6c5sc5ccccc56)nc(-c5cccc6c5sc5ccccc56)n4)cn3)cc2C(C)(C)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PARP14 Q460N5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL17485966 0.94 ALOX5 (0.36) ALOX5PARP14L3MBTL1BACE1BACE2
SCHEMBL17486197 0.88 ALOX5 (0.36) ALOX5PARP14L3MBTL1BACE1BACE2
SCHEMBL17486234 0.84 S1PR1 (0.37) L3MBTL1MAPTHSD17B1HSD17B2
SCHEMBL18015295 0.79 HSD17B1 (0.40) BACE1HSD17B1HSD17B2
SCHEMBL17486227 0.78 HSD17B1 (0.41) L3MBTL1MAPTHSD17B1HSD17B2
SCHEMBL17486324 0.77 NR1H4 (0.37) L3MBTL1MAPTHSD17B1HSD17B2
SCHEMBL25789532 0.77 RARB (0.44) ALOX5PARP14MAPT
SCHEMBL17486244 0.77 HSD17B1 (0.40) L3MBTL1MAPTHSD17B1HSD17B2
SCHEMBL19794506 0.76 RARB (0.34) MAPTHSD17B1HSD17B2
SCHEMBL17486259 0.76 HSD17B1 (0.43) MAPTHSD17B1HSD17B2

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 ALOX5 3618/4885PARP14 1246/4885L3MBTL1 3160/4885

“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.