SCHEMBL408368

SCHEMBL408368

CC(C)c1cc2cc(C(=O)O)ccc2n1C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
PHGDH O43175 2/20 0.45
HCAR3 P49019 4/20 0.44
HPGD P15428 3/20 0.44
HCAR2 Q8TDS4 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RXRA P19793 1/20 0.41

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
SCHEMBL10022424 0.87 KDM4E (0.55) KDM4EPHGDHHPGDALDH1A1HSD17B10
SCHEMBL23809378 0.87 KDM4E (0.44) KDM4EPHGDHHCAR3HPGDHCAR2
SCHEMBL7877815 0.82 HCAR3 (0.47) KDM4EHCAR3HPGDHCAR2SMN1; SMN2
SCHEMBL3987986 0.79 KDM4E (0.55) KDM4EHCAR3HPGDALDH1A1HSD17B10
SCHEMBL30622485 0.79 KDM4E (0.55) KDM4EHCAR3HPGDALDH1A1HSD17B10
SCHEMBL5889548 0.79 KDM4E (0.68) KDM4EPHGDHHCAR3HPGDALDH1A1
SCHEMBL28143548 0.78 KDM4E (0.49) KDM4EPHGDHHCAR3HPGDALDH1A1
SCHEMBL28323883 0.78 HCAR3 (0.49) KDM4EPHGDHHCAR3HPGDHCAR2
SCHEMBL28264561 0.78 MCL1 (0.53) KDM4EPHGDHHCAR3HPGDALDH1A1
SCHEMBL27880258 0.78 KDM4E (0.53) KDM4EPHGDHHCAR3HPGDALDH1A1

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 2 patents. 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
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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 (2 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
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT KDM4E 2452/4885PHGDH 303/4885HCAR3 1993/4885

“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.