SCHEMBL23809378

SCHEMBL23809378

CC(C)c1cc2ccc(C(=O)O)cc2n1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
PHGDH O43175 1/20 0.42
HCAR3 P49019 3/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
B3GNT2 Q9NY97 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
MCL1 Q07820 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
SLC22A12 Q96S37 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
SCHEMBL10022425 0.87 KDM4E (0.51) KDM4EPHGDHSMN1; SMN2MCL1
SCHEMBL408368 0.87 KDM4E (0.47) KDM4EPHGDHHCAR3HPGDHCAR2
SCHEMBL19531681 0.84 KDM4E (0.48) KDM4EHPGDSMN1; SMN2
SCHEMBL4883666 0.80 KMT2A (0.46) KDM4EHCAR3HPGDHCAR2SMN1; SMN2
SCHEMBL31721264 0.79 KDM4E (0.46) KDM4EPHGDHHCAR3HPGDSMN1; SMN2
SCHEMBL13290538 0.79 KDM4E (0.46) KDM4EHCAR3HPGDSMN1; SMN2MCL1
SCHEMBL28271125 0.78 KDM4E (0.45) KDM4EPHGDHHCAR3HPGDSMN1; SMN2
SCHEMBL28269380 0.78 KDM4E (0.45) KDM4EPHGDHHCAR3HPGDSMN1; SMN2
SCHEMBL29950789 0.75 KDM4E (0.43) KDM4EPHGDHHCAR3HPGDSMN1; SMN2
SCHEMBL12992062 0.75 BRPF1 (0.47) KDM4ESMN1; SMN2MCL1

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 1156/4885PHGDH 2796/4885HCAR3 4325/4885

“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.