SCHEMBL23809168

SCHEMBL23809168

CC(C)c1cccc2c(C(=O)O)cn(Cc3cccnc3)c12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
CNR2 P34972 2/20 0.48
CNR1 P21554 1/20 0.48
USP2 O75604 1/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ADRA1D P25100 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
DHPS P49366 1/20 0.39
PTGER3 P43115 1/20 0.39
TBXAS1 P24557 1/20 0.39
CHRM1 P11229 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
SCHEMBL26581453 0.85 KDM4E (0.52) KDM4ECNR2CNR1USP2LMNA
SCHEMBL23809352 0.77 KDM4E (0.43) KDM4ETSHRALDH1A1CHRM1
SCHEMBL23809103 0.76 KDM4E (0.42) KDM4ELMNATSHRALDH1A1L3MBTL1
SCHEMBL23809280 0.73 CNR1 (0.45) KDM4ECNR2CNR1TSHRALDH1A1
SCHEMBL2040903 0.72 CNR2 (0.46) KDM4ECNR2CNR1USP2LMNA
SCHEMBL23809203 0.72 SLC22A12 (0.52) KDM4ECNR2CNR1LMNAADRA1D
SCHEMBL26581458 0.72 CNR1 (0.48) KDM4ECNR2CNR1LMNAALDH1A1
SCHEMBL23809344 0.71 NOTUM (0.40) KDM4ELMNATSHRALDH1A1L3MBTL1
SCHEMBL31023004 0.71 MCL1 (0.38) KDM4EALDH1A1CHRM1
SCHEMBL4638529 0.70 KDM4E (0.46) KDM4ECNR2CNR1USP2LMNA

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 1156/4885CNR2 3259/4885CNR1 2722/4885

“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.