SCHEMBL23809271

SCHEMBL23809271

COCCOCCOc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
SRD5A2 P31213 2/20 0.37
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MCL1 Q07820 2/20 0.33
PHGDH O43175 1/20 0.33
ADRB3 P13945 1/20 0.33
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
SRD5A1 P18405 1/20 0.33
GFER P55789 1/20 0.32
GPR35 Q9HC97 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
SCHEMBL23809228 0.96 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809282 0.84 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809290 0.81 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809167 0.81 KDM4E (0.52) KDM4EALDH1A1POLBHTT
SCHEMBL26581357 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809427 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809486 0.78 MEN1 (0.50) KDM4EALDH1A1SMN1; SMN2MCL1
SCHEMBL23809100 0.78 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809529 0.78 NTRK1 (0.38) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2668820 0.78 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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 1156/4885ALDH1A1 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.