SCHEMBL19794492

SCHEMBL19794492

CC(C)(C)c1cc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6ccc(-c7ccc(-c8nc(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)nc(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)n8)cn7)cc6)cc(-c6ccccc6-c6ccc(-c7ccc(-c8nc(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)nc(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)n8)cn7)cc6)c5)cc4)nc3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TDO2 P48775 1/20 0.36
HPGDS O60760 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
MEN1 O00255 1/20 0.34
NR2F2 P24468 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
SCD O00767 1/20 0.32

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
SCHEMBL19794491 0.91 NPC1 (0.42) MAPTTDO2HPGDSNPC1RAB9A
SCHEMBL19794513 0.88 MEN1 (0.40) MAPTTDO2HPGDSNPC1RAB9A
SCHEMBL18015528 0.86 RAB9A (0.38) MAPTTDO2HPGDSNPC1RAB9A
SCHEMBL19794512 0.84 HPGDS (0.36) KDM4EMAPTHPGDSNPC1RAB9A
SCHEMBL19794495 0.84 HPGDS (0.36) HPGDSNPC1RAB9AALOX5APFEN1
SCHEMBL18015618 0.82 KDM4E (0.44) KDM4EGAAMAPTTDO2NPC1
SCHEMBL19794502 0.82 MEN1 (0.42) KDM4EMAPTHPGDSNPC1RAB9A
SCHEMBL21125647 0.82 TRPV1 (0.40) TDO2HPGDSNPC1RAB9AALOX5AP
SCHEMBL19794371 0.82 KMT2A (0.49) KDM4ETDO2NPC1RAB9AALOX5AP
SCHEMBL19794490 0.82 MEN1 (0.49) KDM4EMAPTHPGDSNPC1RAB9A

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-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP 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 KDM4E 3894/4885GAA 3285/4885MAPT 2450/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 KDM4E 3864/4885GAA 3054/4885MAPT 639/4885

“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.