SCHEMBL6442985

SCHEMBL6442985

CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)OCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PPARA Q07869 3/20 0.45
GAA P10253 2/20 0.44
RAB9A P51151 3/20 0.44
AR P10275 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5160757 0.89 MAPT (0.49) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL1857696 0.87 PPARA (0.59) PPARA
SCHEMBL5659791 0.87 PPARA (0.59) PPARA
SCHEMBL27357477 0.86 MAPT (0.47) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL1860936 0.86 LMNA (0.47) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL2672728 0.84 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL5160654 0.82 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL5160644 0.82 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL8259986 0.82 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL2554435 0.82 PPARA (0.52) PPARAMEN1KMT2A

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-20050096331-A1 Novel compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2005-05-05 US disclosed
WO-2003053974-A1 NOVEL COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-07-03 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-20050096331-A1 Novel compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, CETP MAPT 221/4885CRHBP 3541/4885CRHR2 2909/4885

“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.