SCHEMBL23809221

SCHEMBL23809221

CCC(C)c1cn(CCCC[Si](C)(C)C)c2ccc(C(=O)O)cc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
ACE2 Q9BYF1 2/20 0.37
PLA2G4A P47712 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL23809463 0.77 SLC22A12 (0.52) HCAR3ALDH1A1HPGDSLC22A12KDM4E
SCHEMBL23809366 0.74 SLC22A12 (0.45) HCAR3HPGDSLC22A12KDM4EACE2
SCHEMBL23809350 0.71 SLC22A12 (0.49) ALDH1A1HPGDSLC22A12KDM4ECNR2
SCHEMBL23809482 0.71 SLC22A12 (0.49) HCAR3ALDH1A1HPGDSLC22A12KDM4E
SCHEMBL23809277 0.70 SLC22A12 (0.47) ALDH1A1HPGDSLC22A12KDM4ECNR2
SCHEMBL23809337 0.69 SLC22A12 (0.47) ALDH1A1HPGDSLC22A12KDM4ECNR2
SCHEMBL23809523 0.69 SLC22A12 (0.51) HCAR3ALDH1A1HPGDSLC22A12KDM4E
SCHEMBL23809481 0.68 SLC22A12 (0.53) ALDH1A1SLC22A12KDM4ECNR2CNR1
SCHEMBL26581174 0.67 ALDH1A1 (0.55) HCAR3ALDH1A1HPGDSLC22A12KDM4E
SCHEMBL1554607 0.67 ACE2 (0.51) HCAR3ALDH1A1HPGDSLC22A12KDM4E

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 HCAR3 4325/4885ALDH1A1 2556/4885HPGD 3190/4885

“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.