SCHEMBL3961619

SCHEMBL3961619

O=C(O)CC1CCCc2cc(OC3CCCC3)c(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.42
PPARA Q07869 10/20 0.42
PPARG P37231 5/20 0.42
FFAR4 Q5NUL3 4/20 0.42
FFAR1 O14842 3/20 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
SCHEMBL3966733 0.95 PPARD (0.48) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL3968890 0.88 CYP11B1 (0.38) PPARAPPARGFFAR4FFAR1
SCHEMBL3965811 0.83 CYP11B1 (0.40) PPARDPPARAPPARGFFAR4
SCHEMBL3966435 0.80 FFAR1 (0.41) PPARDPPARAFFAR1
SCHEMBL3965719 0.78 PPARD (0.55) PPARDPPARAPPARGFFAR1
SCHEMBL3961775 0.78 FFAR4 (0.41) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL3970524 0.77 PPARD (0.43) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL3965823 0.77 PPARD (0.43) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL3965826 0.77 PPARD (0.43) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL3970675 0.77 FFAR4 (0.41) PPARDPPARAPPARGFFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R PPARD 88/4885PPARA 120/4885PPARG 76/4885

“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.