SCHEMBL23809486

SCHEMBL23809486

CC(C)c1cc(OCCN2CCOCC2)cc2cc(C(=O)O)n(C)c12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PPARG P37231 2/20 0.41
ACACB O00763 1/20 0.41
MCL1 Q07820 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
SCHEMBL23809167 0.90 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL26581441 0.86 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL26037542 0.85 SMN1; SMN2 (0.48) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL23809314 0.84 KDM4E (0.41) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL23809431 0.82 MAPT (0.43) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL23809228 0.81 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2PPARGMCL1
SCHEMBL23809487 0.79 MCL1 (0.38) KDM4EALDH1A1SMN1; SMN2MCL1
SCHEMBL23809271 0.78 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2MCL1
SCHEMBL23809100 0.77 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2ACACBMCL1
SCHEMBL23809290 0.76 KDM4E (0.54) KDM4EALDH1A1TSHRSMN1; SMN2GAA

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

“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.