SCHEMBL2113397

SCHEMBL2113397

CC(=O)c1cc[nH]c(=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.41
DAO P14920 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
PARP1 P09874 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
PARP15 Q460N3 1/20 0.38
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL6865182 0.83 NAPRT (0.55) NAPRTDAOKDM4EALDH1A1PARP1
SCHEMBL14829176 0.83 NAPRT (0.41) NAPRTDAOKDM4EALDH1A1PARP1
SCHEMBL8469600 0.81 PDPK1 (0.43) NAPRTDAOKDM4EALDH1A1PARP1
SCHEMBL19350248 0.80 CXCR2 (0.39) NAPRTDAOKDM4EALDH1A1PARP1
SCHEMBL754622 0.76 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3182033 0.74 NAPRT (0.67) NAPRTDAOKDM4EALDH1A1RAB9A
SCHEMBL3657128 0.73
SCHEMBL5004910 0.73 PBRM1 (0.39) NAPRTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14540483 0.73
SCHEMBL765517 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US claimed
WO-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO claimed
EP-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed
EP-0120670-A1 Iron III complexes of hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP 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-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 NAPRT 2116/4885DAO 1912/4885KDM4E 979/4885

“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.