SCHEMBL23809290

SCHEMBL23809290

COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 2/20 0.39
GPR35 Q9HC97 1/20 0.39
PHGDH O43175 1/20 0.38
CRHR1 P34998 1/20 0.38
SRD5A2 P31213 2/20 0.38
GFER P55789 1/20 0.38
PTGS2 P35354 3/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
PTGS1 P23219 2/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 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
SCHEMBL23809228 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809170 0.82 HSD17B10 (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809215 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809271 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809313 0.81 HSD17B10 (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL26581347 0.81 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809100 0.80 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809489 0.80 HSD17B10 (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809365 0.79 F2 (0.38) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23809417 0.78 KDM4E (0.38) 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.