SCHEMBL8268657

SCHEMBL8268657

CCCCOc1c(C(=O)ON2C(=O)CCC2=O)oc(C)cc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNA3 P22001 1/20 0.32
PSEN1 P49768 3/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PSMB8 P28062 2/20 0.32
PSMB5 P28074 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MMP3 P08254 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL13414036 0.85 CNR2 (0.36) LMNAKDM4EALDH1A1MAPTTHRA
SCHEMBL10032703 0.81 LMNA (0.43) LMNAALDH1A1MAPTPSMB8PSMB5
SCHEMBL14640834 0.80 LMNA (0.31) LMNA
SCHEMBL12395893 0.80 LDHA (0.40) LMNASMN1; SMN2KMT2ARAB9A
SCHEMBL8268655 0.79 THRA (0.41) LMNAKDM4EALDH1A1MAPTNPSR1
SCHEMBL14640654 0.73 ALDH1A1 (0.46) LMNAKDM4EALDH1A1MMP3TP53
SCHEMBL8269270 0.71 ELANE (0.34) KDM4ETP53TSHRSMN1; SMN2KMT2A
SCHEMBL878923 0.70 HPGD (0.52) ALDH1A1MAPTTHRATHRBTP53
SCHEMBL5055747 0.69 KDM4E (0.40) LMNAKDM4EALDH1A1MAPTNPSR1
SCHEMBL13395960 0.68 LMNA (0.46) LMNAALDH1A1HSD17B10TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786316-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 US disclosed
US-20090286987-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2009-11-19 US disclosed
US-7579486-B2 Metalloprotein inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2009-08-25 US disclosed
US-20070117848-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO 2007-05-24 US disclosed
WO-2007002109-A2 MULTIDENTATE PYRONE-DERIVED CHELATORS FOR MEDICINAL IMAGING AND CHELATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-04 WO disclosed
WO-2006028523-A2 HYDROXYPYRIDINONE, HYDROXYPYRIDINETHIONE, PYRONE, AND THIOPYRONE METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO USDC Technology Transfer Office (US) 2006-03-16 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 (2 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-20090286987-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 LMNA 3336/4885KDM4E 2433/4885ALDH1A1 918/4885
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 LMNA 3336/4885KDM4E 2433/4885ALDH1A1 918/4885

“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.