SCHEMBL5885017

SCHEMBL5885017

CCOC(=O)C(C)(C)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
NR4A2 P43354 2/20 0.56
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.55
PARP10 Q53GL7 1/20 0.54
ALDH1A1 P00352 3/20 0.53
NR1H4 Q96RI1 1/20 0.53
SRD5A2 P31213 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PPARG P37231 1/20 0.50
PLA2G4B P0C869 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL4621876 0.83 PIN1 (0.51) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3615238 0.82 MAOB (0.55) MAOBNR4A2NR4A1NR4A3L3MBTL1
SCHEMBL15189660 0.82 MAOB (0.69) MAOBNR4A2NR4A1NR4A3L3MBTL1
SCHEMBL5660644 0.82 OPRK1 (0.60) MAOBNR4A2NR4A1NR4A3L3MBTL1
SCHEMBL4428685 0.81 PPARG (0.61) MAOBNR4A2NR4A1NR4A3L3MBTL1
SCHEMBL6036021 0.81 L3MBTL1 (0.58) MAOBNR4A2NR4A1NR4A3L3MBTL1
SCHEMBL14176244 0.81 LMNA (0.54) MAOBNR4A2NR4A1NR4A3L3MBTL1
SCHEMBL340618 0.80 MAOB (0.67) MAOBNR4A2NR4A1NR4A3L3MBTL1
SCHEMBL15669148 0.80 L3MBTL1 (0.56) MAOBNR4A2NR4A1NR4A3L3MBTL1
SCHEMBL6504864 0.80 MMP8 (0.63) MAOBNR4A2NR4A1NR4A3L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102008-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US disclosed
US-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004012663-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO 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-20040063698-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP9, ADAM17, MMP3 MAOB 655/4885NR4A2 3280/4885NR4A1 2177/4885

“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.