SCHEMBL23914749

SCHEMBL23914749

CC(C)(C)OC(=O)Cn1cc(CC(=O)O)c2ccccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MCL1 Q07820 4/20 0.40
PLK1 P53350 4/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL23908960 0.89 L3MBTL1 (0.44) L3MBTL1POLBALDH1A1KDM4EBRD4
SCHEMBL23909115 0.81 KDM4E (0.41) L3MBTL1POLBALDH1A1KDM4ELMNA
SCHEMBL18171832 0.75 KDM4E (0.48) POLBALDH1A1KDM4ELMNAMAPT
SCHEMBL5956307 0.75 GAA (0.54) CDC25AL3MBTL1POLBALDH1A1KDM4E
SCHEMBL23909094 0.74 MAPT (0.64) L3MBTL1POLBALDH1A1MAPT
SCHEMBL30684924 0.74 PLK1 (0.50) L3MBTL1MCL1PLK1POLBALDH1A1
SCHEMBL15076008 0.74 KDM4E (0.63) ALDH1A1KDM4ELMNAMAPT
SCHEMBL1520396 0.72 BRD4 (0.54) CDC25AL3MBTL1POLBMAPTBRD4
SCHEMBL2882457 0.70 L3MBTL1 (0.73) CDC25AL3MBTL1MCL1PLK1ALDH1A1
SCHEMBL16099676 0.70 ALDH1A1 (0.58) L3MBTL1POLBALDH1A1KDM4ELMNA

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 CDC25A 1021/4885L3MBTL1 2938/4885MCL1 4368/4885

“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.