SCHEMBL23809502

SCHEMBL23809502

COCCOc1cc(C(C)C)c2c(c1)c(C(=O)O)cn2Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MCL1 Q07820 3/20 0.44
SLC22A12 Q96S37 1/20 0.43
S1PR3 Q99500 2/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADRA1D P25100 1/20 0.38
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MAPT P10636 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PLA2G2A P14555 1/20 0.35
SCN9A Q15858 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL23809508 0.91 KDM4E (0.48) KDM4EMCL1SLC22A12S1PR3ALDH1A1
SCHEMBL26581620 0.88 KDM4E (0.52) KDM4EMCL1SLC22A12S1PR3ALDH1A1
SCHEMBL23809505 0.83 KDM4E (0.56) KDM4ESLC22A12ALDH1A1SMN1; SMN2ADRA1D
SCHEMBL26581621 0.79 KDM4E (0.50) KDM4EMCL1SLC22A12ALDH1A1ADRA1D
SCHEMBL23809399 0.79 KDM4E (0.46) KDM4EMCL1S1PR3ALDH1A1SMN1; SMN2
SCHEMBL26581613 0.77 KDM4E (0.56) KDM4EMCL1SLC22A12ALDH1A1SMN1; SMN2
SCHEMBL23809258 0.74 MCL1 (0.41) KDM4EMCL1ALDH1A1SMN1; SMN2ADRA1D
SCHEMBL26581454 0.70 KDM4E (0.66) KDM4ESLC22A12ALDH1A1SMN1; SMN2ADRA1D
SCHEMBL28265757 0.68 SLC22A12 (0.74) KDM4ESLC22A12ALDH1A1MAPK1MAPT
SCHEMBL26581688 0.68 MAPT (0.45) MCL1ALDH1A1SMN1; SMN2TSHRMAPT

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 1156/4885MCL1 1/4885SLC22A12 3136/4885

“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.