SCHEMBL23809262

SCHEMBL23809262

CC(C)c1cc(C(=O)O)cc2c1cnn2C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.37
ACE2 Q9BYF1 2/20 0.37
SLC22A12 Q96S37 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HCAR3 P49019 2/20 0.35
EGLN1 Q9GZT9 3/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL23809224 0.79 CNR1 (0.37) ACE2SLC22A12KDM4EALDH1A1POLB
SCHEMBL20610585 0.78 TTR (0.43) KDM4EALDH1A1POLBHCAR3EGLN1
SCHEMBL29855960 0.78 TTR (0.43) KDM4EALDH1A1POLBHCAR3EGLN1
SCHEMBL19512219 0.78 TPMT (0.44) KDM4EALDH1A1POLBHCAR3TNKS
SCHEMBL30240957 0.78 TTR (0.43) SLC22A12KDM4EALDH1A1POLBHCAR3
SCHEMBL23809345 0.74 SLC22A12 (0.42) ACE2SLC22A12KDM4EHCAR3FABP3
SCHEMBL23809445 0.73 KDM4E (0.45) KDM4EALDH1A1POLBFABP3FABP4
SCHEMBL5364755 0.73 FABP3 (0.38) S1PR2ACE2KDM4EFABP3FABP4
SCHEMBL29303158 0.72 HTR2A (0.35) S1PR2ALDH1A1
SCHEMBL21962070 0.71 THRA (0.35) S1PR2SLC22A12KDM4EALDH1A1THRA

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 S1PR2 2172/4885ACE2 4387/4885SLC22A12 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.