SCHEMBL23809487

SCHEMBL23809487

CC(C)c1cc(OCC2COC2)cc2cc(C(=O)O)n(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GRM5 P41594 3/20 0.36
SRD5A2 P31213 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
FKBP1A P62942 1/20 0.33
USP1 O94782 2/20 0.33
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 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
SCHEMBL23809100 0.90 KDM4E (0.39) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26037543 0.85 MCL1 (0.44) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809153 0.84 HSD17B10 (0.36) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809486 0.79 MEN1 (0.50) MCL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23809228 0.78 KDM4E (0.43) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809290 0.77 KDM4E (0.54) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809167 0.77 KDM4E (0.52) KDM4EALDH1A1
SCHEMBL23809271 0.76 KDM4E (0.41) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23809417 0.75 KDM4E (0.38) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26581469 0.75 MCL1 (0.42) MCL1KDM4EALDH1A1HPGDHSD17B10

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 MCL1 1/4885KDM4E 1156/4885ALDH1A1 2556/4885

“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.