SCHEMBL23909115

SCHEMBL23909115

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
BRD4 O60885 2/20 0.40
POLB P06746 1/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
DTYMK P23919 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TNF P01375 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
F2 P00734 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL23914749 0.81 CDC25A (0.43) KDM4EALDH1A1BRD4POLBL3MBTL1
SCHEMBL23908960 0.80 L3MBTL1 (0.44) KDM4EALDH1A1BRD4POLBL3MBTL1
SCHEMBL18171832 0.78 KDM4E (0.48) KDM4EALDH1A1BRD4POLBDTYMK
SCHEMBL15076008 0.77 KDM4E (0.63) KDM4EALDH1A1PSMB1PSMB5TNF
SCHEMBL8530934 0.72 MEN1 (0.59) KDM4EALDH1A1POLBL3MBTL1GAA
SCHEMBL30765540 0.72 ALDH1A1 (0.38) KDM4EALDH1A1F2MAPT
SCHEMBL19208816 0.72 GAA (0.56) KDM4EALDH1A1POLBL3MBTL1GAA
SCHEMBL23697929 0.71 KMT2A (0.44) KDM4EALDH1A1BRD4POLBLMNA
SCHEMBL8530927 0.71 GAA (0.49) KDM4EALDH1A1POLBL3MBTL1GAA
SCHEMBL28254025 0.71 KDM4E (0.50) KDM4EALDH1A1POLBPSMB1PSMB5

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 5 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
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
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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 KDM4E 3835/4885ALDH1A1 944/4885BRD4 1935/4885

“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.