SCHEMBL4099400

SCHEMBL4099400

Cc1ccc(-c2cc3c(cc(C(=O)O)n3-c3ccc(OC4CCCC4)cc3)s2)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ACACB O00763 5/20 0.36
HRH3 Q9Y5N1 9/20 0.36
KCNH2 Q12809 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
EPHX2 P34913 1/20 0.34
PTGES O14684 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL4093339 0.90 MAOA (0.39) ALDH1A1MAPTACACBHSD17B10
SCHEMBL4095900 0.86 EPHX2 (0.39) ACACBKCNH2PTGS1PTGS2EPHX2
SCHEMBL4086721 0.83 PTGES (0.48) ACACBPTGS1PTGS2PTGESAPP
SCHEMBL4105667 0.83 PTGES (0.48) ALDH1A1PTGESGFERHSD17B10
SCHEMBL4087011 0.81 EPHX2 (0.38) ACACBPTGS1PTGS2EPHX2APP
SCHEMBL4096081 0.73 MAOA (0.41) ALDH1A1MAPTACACBHSD17B10
SCHEMBL4098949 0.70 PTGES (0.41) ALDH1A1MAPTPTGESGFERHSD17B10
SCHEMBL4097942 0.70 PTGES (0.57) ALDH1A1PTGES
SCHEMBL4092023 0.68 PTGES (0.48) ALDH1A1MAPTPTGES
SCHEMBL3578255 0.67 PTGES (0.69) ALDH1A1MAPTACACBHRH3PTGES

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES ALDH1A1 2718/4885MAPT 54/4885ACACB 4294/4885

“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.