SCHEMBL3996328

SCHEMBL3996328

CCCCCCCN(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.50
LTB4R Q15722 3/20 0.50
ALOX5 P09917 6/20 0.49
CNR2 P34972 1/20 0.48
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN7 P35236 1/20 0.42

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
SCHEMBL3994210 0.94 CNR2 (0.47) LTB4R2LTB4RALOX5CNR2PLG
SCHEMBL4631074 0.91 CNR2 (0.59) LTB4R2LTB4RALOX5CNR2PLG
SCHEMBL4002651 0.91 LTB4R2 (0.53) LTB4R2LTB4RALOX5CNR2
SCHEMBL4001522 0.90 CYP1A2 (0.48) ALOX5CNR2PLGPRSS1PRSS2
SCHEMBL3997809 0.86 CNR2 (0.48) LTB4R2LTB4RALOX5CNR2
SCHEMBL4630671 0.86 LTB4R2 (0.55) LTB4R2ALOX5CNR2PLGPRSS1
SCHEMBL3996532 0.86 CNR2 (0.48) LTB4R2LTB4RALOX5CNR2CA12
SCHEMBL4003245 0.83 CYP1A2 (0.49) LTB4R2LTB4RALOX5CNR2
SCHEMBL4630064 0.82 CNR2 (0.62) LTB4R2ALOX5CNR2
SCHEMBL4004959 0.82 CNR2 (0.52) LTB4R2LTB4RCNR2

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-7521461-B2 Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2009-04-21 US disclosed
US-20050267149-A1 Benzoic acid derivatives as modulators of ppar alpha and gamma ASTRAZENECA AB (SE) 2005-12-01 US disclosed
EP-1517680-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA Astrazeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000295-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA ASTRAZENECA AB (SE) 2003-12-31 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-20050267149-A1 Benzoic acid derivatives as modulators of ppar alpha and gamma PPARG, NR4A1, NR0B1 LTB4R2 1032/4885LTB4R 1131/4885ALOX5 706/4885

“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.