SCHEMBL23809265

SCHEMBL23809265

CC(C)c1cc(CN2CCN(C)C(=O)C2)cc2cc(C(=O)O)n(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
MAPK1 P28482 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC2A1 P11166 1/20 0.32
ALOX15 P16050 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PARP1 P09874 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HSP90B1 P14625 1/20 0.32
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL26037604 0.87 KDM4E (0.36) PIK3CDMAPK1HDAC8KDM4EALDH1A1
SCHEMBL23809525 0.84 HRH3 (0.41) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL23809267 0.83 HRH3 (0.43) PIK3CDMAPK1MAPTKDM4EALDH1A1
SCHEMBL23809299 0.78 MEN1 (0.43) MAPK1HDAC8MAPTKDM4EALDH1A1
SCHEMBL30547771 0.78 KDM4E (0.47) HDAC8KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809497 0.78 ALDH1A1 (0.36) MAPK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26037572 0.76 HRH3 (0.39) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL23809293 0.74 MEN1 (0.40) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL23809431 0.74 MAPT (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809489 0.73 HSD17B10 (0.46) MAPK1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 PIK3CD 1277/4885MAPK1 1843/4885HDAC8 849/4885

“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.