SCHEMBL3997271

SCHEMBL3997271

CCN(Cc1ccccc1F)C(=O)Cc1ccc(COc2ccccc2C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NPC1 O15118 1/20 0.45
TSPO P30536 1/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3997797 0.90 NPC1 (0.46) PLA2G1BATG4BNPC1TSPOLMNA
SCHEMBL4629905 0.86 LPAR1 (0.46) TSPOALDH1A1KDM4ETRPM8HPGD
SCHEMBL4965244 0.80 MAPT (0.46) NPC1TSPOMAPTHTTRAB9A
SCHEMBL4630654 0.79 TSPO (0.55) TSPOLMNAALDH1A1KDM4EHTT
SCHEMBL4629897 0.78 LPAR1 (0.53) TSPOTRPM8
SCHEMBL4630463 0.77 LPAR1 (0.45) NPC1TSPOLMNAFFAR4MAPT
SCHEMBL5309541 0.76 KMT2A (0.64) PLA2G1BATG4BNPC1LMNAALDH1A1
SCHEMBL10411181 0.76 SLC6A3 (0.58) PLA2G1BATG4BLMNAFFAR4MAPT
SCHEMBL3996243 0.76 TP53 (0.48) NPC1TSPOMAPTRAB9ATRPM8
Tert-Butylamine SCHEMBL5309305 0.74 LPAR1 (0.49) TSPOALDH1A1MAPTTRPM8

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 PLA2G1B 2559/4885ATG4B 2733/4885NPC1 614/4885

“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.