SCHEMBL23809404

SCHEMBL23809404

COc1c(OCc2ccccc2)cc(C(C)C)c2c1cc(C(=O)O)n2Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
RAF1 P04049 3/20 0.38
MAP2K1 Q02750 3/20 0.38
GLRA1 P23415 1/20 0.38
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
RXRA P19793 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PLA2G2A P14555 2/20 0.37
KMT2A Q03164 2/20 0.36
S1PR3 Q99500 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
SCHEMBL23809099 0.83 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL26037331 0.80 SRD5A2 (0.45) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL23809144 0.77 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL23809163 0.74 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL23809353 0.74 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL23809222 0.73 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL26581299 0.73 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL23809410 0.72 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL23809173 0.72 CNR2 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL23809399 0.72 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HPGDTSHR

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 2556/4885SMN1; SMN2 1682/4885

“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.