SCHEMBL4616641

SCHEMBL4616641

Cc1cc(COc2ccc(O)cc2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 7/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAOA P21397 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL3920523 0.83 LMNA (0.52) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL3918662 0.81 MAOB (0.48) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL3929011 0.80 MAOB (0.50) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL3918952 0.80 MAOB (0.55) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL26464918 0.79 ESR1 (0.54) LTA4H
SCHEMBL3036754 0.76 PDGFRA (0.50) SMN1; SMN2MAOBMEN1KMT2AMAOA
SCHEMBL4616640 0.76 APP (0.54) APPLMNASMN1; SMN2MAOBMEN1
SCHEMBL11578826 0.75 APP (0.79) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL5633306 0.75 APP (0.79) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL749857 0.75 MEN1 (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19

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
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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 (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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD APP 2636/4885LMNA 2712/4885CYP1A2 846/4885

“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.