SCHEMBL26580392

SCHEMBL26580392

COc1cc(C)c2c(cc(C(=O)O)n2C)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
HPGD P15428 4/20 0.61
ALDH1A1 P00352 3/20 0.61
HSD17B10 Q99714 3/20 0.61
CYP19A1 P11511 6/20 0.47
NQO2 P16083 5/20 0.47
ATM Q13315 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ESR1 P03372 1/20 0.40
GLA P06280 1/20 0.40
TPMT P51580 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 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
SCHEMBL23809354 0.82 ALDH1A1 (0.57) KDM4EHPGDALDH1A1HSD17B10CYP19A1
SCHEMBL26581211 0.81 HPGD (0.51) KDM4EHPGDALDH1A1HSD17B10CYP19A1
SCHEMBL23809499 0.76 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10CYP19A1
SCHEMBL27938424 0.76 KDM4E (1.00) KDM4EHPGDALDH1A1HSD17B10CYP19A1
SCHEMBL2905589 0.76 ALDH1A1 (0.60) KDM4EHPGDALDH1A1HSD17B10CYP19A1
SCHEMBL644451 0.75 KMT2A (0.55) KDM4EHPGDALDH1A1HSD17B10CYP19A1
SCHEMBL17099700 0.73 HSD17B10 (0.52) KDM4EHPGDALDH1A1HSD17B10CYP19A1
SCHEMBL26581347 0.70 KDM4E (0.57) KDM4EHPGDALDH1A1HSD17B10CYP19A1
SCHEMBL2497506 0.69 HSD17B10 (0.47) KDM4EHPGDALDH1A1HSD17B10ATM
SCHEMBL26039159 0.69 KMT2A (0.39) KDM4EHPGDALDH1A1HSD17B10SMN1; 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885HPGD 3190/4885ALDH1A1 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.