SCHEMBL3997809

SCHEMBL3997809

CCCCCCCN(CCc1ccc(Cl)cc1)C(=O)Cc1ccc(OCc2ccccc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
LTB4R2 Q9NPC1 5/20 0.47
LTB4R Q15722 4/20 0.47
ALOX5 P09917 3/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PPARA Q07869 1/20 0.42
ADAMTS4 O75173 1/20 0.42
ADAMTS5 Q9UNA0 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
SCHEMBL4002651 0.94 LTB4R2 (0.53) CNR2LTB4R2LTB4RALOX5
SCHEMBL3994210 0.91 CNR2 (0.47) CNR2LTB4R2LTB4RALOX5FFAR1
SCHEMBL4003245 0.86 CYP1A2 (0.49) CNR2LTB4R2LTB4RALOX5PPARA
SCHEMBL3996328 0.86 LTB4R2 (0.50) CNR2LTB4R2LTB4RALOX5
SCHEMBL4001535 0.86 CNR2 (0.49) CNR2LTB4R2LTB4RALOX5
SCHEMBL4630064 0.85 CNR2 (0.62) CNR2LTB4R2ALOX5
SCHEMBL6220527 0.82 NPC1 (0.50) CNR2LTB4R2LTB4RALOX5
Tert-Butylamine SCHEMBL5312728 0.81 CNR2 (0.57) CNR2LTB4R2ALOX5
SCHEMBL4629865 0.80 LTB4R2 (0.63) CNR2LTB4R2
SCHEMBL4002675 0.80 LTB4R2 (0.51) CNR2LTB4R2LTB4RALOX5PPARA

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 claimed
US-20050267149-A1 Benzoic acid derivatives as modulators of ppar alpha and gamma ASTRAZENECA AB (SE) 2005-12-01 US claimed
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

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 CNR2 48/4885LTB4R2 1032/4885LTB4R 1131/4885

“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.