SCHEMBL23809463

SCHEMBL23809463

CCCn1cc(C(C)C)c2cc(C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
ACE2 Q9BYF1 3/20 0.46
HCAR3 P49019 4/20 0.45
TEAD1 P28347 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
PLA2G4A P47712 2/20 0.40
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL23809482 0.86 SLC22A12 (0.49) SLC22A12ALDH1A1HPGDKDM4EACE2
SCHEMBL23809350 0.86 SLC22A12 (0.49) SLC22A12ALDH1A1HPGDKDM4EACE2
SCHEMBL23809277 0.84 SLC22A12 (0.47) SLC22A12ALDH1A1HPGDKDM4EACE2
SCHEMBL23809337 0.83 SLC22A12 (0.47) SLC22A12ALDH1A1HPGDKDM4EACE2
SCHEMBL23809523 0.83 SLC22A12 (0.51) SLC22A12ALDH1A1HPGDKDM4EACE2
SCHEMBL26581174 0.82 ALDH1A1 (0.55) SLC22A12ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1554607 0.81 ACE2 (0.51) SLC22A12ALDH1A1HPGDKDM4EACE2
SCHEMBL23809481 0.79 SLC22A12 (0.53) SLC22A12ALDH1A1KDM4EACE2
SCHEMBL23809362 0.78 SLC22A12 (0.67) SLC22A12KDM4EACE2HCAR3
SCHEMBL23809381 0.78 SLC22A12 (0.44) SLC22A12ALDH1A1HPGDKDM4EACE2

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 SLC22A12 3136/4885ALDH1A1 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.