SCHEMBL23809167

SCHEMBL23809167

CC(C)c1cc(OCCN2CCCC2)cc2cc(C(=O)O)n(C)c12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
LTA4H P09960 2/20 0.41
PSMB1 P20618 2/20 0.41
PSMB5 P28074 2/20 0.41
PSMB2 P49721 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL23809486 0.90 MEN1 (0.50) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL23809228 0.84 KDM4E (0.43) KDM4EALDH1A1
SCHEMBL23809271 0.81 KDM4E (0.41) KDM4EHTTPOLBALDH1A1
SCHEMBL26037572 0.80 HRH3 (0.39) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL23809100 0.80 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL23809525 0.79 HRH3 (0.41) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL23809290 0.78 KDM4E (0.54) KDM4EL3MBTL1GAAALDH1A1
SCHEMBL23809487 0.77 MCL1 (0.38) KDM4EALDH1A1
SCHEMBL26581441 0.76 KDM4E (0.52) KDM4EMEN1KMT2APOLBGAA
SCHEMBL26037542 0.75 SMN1; SMN2 (0.48) KDM4EMEN1KMT2APSMB1PSMB5

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 KDM4E 1156/4885MEN1 3549/4885KMT2A 824/4885

“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.