SCHEMBL3965823

SCHEMBL3965823

O=C(O)C[C@H]1CCc2c1ccc(OC1CCCC1)c2-c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.43
FFAR4 Q5NUL3 3/20 0.41
PPARA Q07869 8/20 0.40
FFAR1 O14842 5/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PPARG P37231 4/20 0.37

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
SCHEMBL3970524 1.00 PPARD (0.43) PPARDFFAR4PPARAFFAR1PDE4A
SCHEMBL3965826 1.00 PPARD (0.43) PPARDFFAR4PPARAFFAR1PDE4A
SCHEMBL3971905 0.88 CYP11B1 (0.40) FFAR4FFAR1PDE4APDE4BPDE4C
SCHEMBL3966733 0.80 PPARD (0.48) PPARDFFAR4PPARAFFAR1PPARG
SCHEMBL3961775 0.78 FFAR4 (0.41) PPARDFFAR4PPARAFFAR1PPARG
SCHEMBL4251948 0.78 PPARD (0.45) PPARDPPARAFFAR1PPARG
SCHEMBL3962231 0.78 FFAR4 (0.43) PPARDFFAR4PPARAPPARG
SCHEMBL3970675 0.78 FFAR4 (0.41) PPARDFFAR4PPARAFFAR1PPARG
SCHEMBL3961619 0.77 PPARD (0.42) PPARDFFAR4PPARAFFAR1PPARG
SCHEMBL3966004 0.74 FFAR4 (0.37) FFAR4PDE4APDE4BPDE4CPDE4D

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 88/4885FFAR4 237/4885PPARA 120/4885

“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.