SCHEMBL3554775

SCHEMBL3554775

CCCCCCCCc1cc2c(nc1C(=O)O)C(=O)C=CC2=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
KAT8 Q9H7Z6 4/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
HCAR2 Q8TDS4 2/20 0.38
PPARG P37231 2/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
GPR35 Q9HC97 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
HCAR3 P49019 1/20 0.36
GPR84 Q9NQS5 3/20 0.35

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
SCHEMBL8807943 0.77 ACHE (0.36) HCAR2ACHEBACE1GPR84
SCHEMBL28046880 0.69 ALDH1A1 (0.62) PPARAKAT8BIDMCL1BCL2L1
SCHEMBL23271870 0.68 ACHE (0.41) HCAR2ACHEBACE1HCAR3GPR84
SCHEMBL11800974 0.65 KAT8 (0.56) PPARAKAT8BIDMCL1BCL2L1
SCHEMBL5701035 0.65 HCAR2 (0.44) PPARABIDMCL1BCL2L1BAK1
SCHEMBL10626153 0.65 KAT8 (0.56) PPARAKAT8BIDMCL1BCL2L1
SCHEMBL11365602 0.64 HCAR2 (0.48) PPARAKAT8BIDMCL1BCL2L1
SCHEMBL11592002 0.64 CDC25A (0.47) PPARAKAT8BIDMCL1BCL2L1
SCHEMBL11590953 0.64 CDC25A (0.47) PPARAKAT8BIDMCL1BCL2L1
SCHEMBL11592664 0.64 CDC25A (0.47) PPARAKAT8BIDMCL1BCL2L1

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-7807668-B2 Anti-inflammatory compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2010-10-05 US disclosed
US-20070265253-A1 Anti-Inflammatory Compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-11-15 US disclosed
EP-1789422-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-05-30 EP disclosed
WO-2006031134-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2006-03-23 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-20070265253-A1 Anti-Inflammatory Compounds TNF, PTGS1, PTGES PPARA 837/4885KAT8 2208/4885BID 4662/4885

“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.