SCHEMBL3968829

SCHEMBL3968829

O=C(O)/C=C1\CCc2cc(OC3CCCC3)c(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.39
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
PDE4B Q07343 7/20 0.36
PDE4D Q08499 5/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
SLC6A3 Q01959 3/20 0.34
FAAH O00519 1/20 0.34
EPHX1 P07099 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MAPK10 P53779 1/20 0.34
FABP4 P15090 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL3968833 1.00 FFAR4 (0.39) FFAR4CYP19A1CYP11B1CYP11B2PDE4B
SCHEMBL3969341 0.87 CCNC (0.41) FFAR4CYP19A1CYP11B1CYP11B2PDE4B
SCHEMBL3969339 0.87 CCNC (0.41) FFAR4CYP19A1CYP11B1CYP11B2PDE4B
SCHEMBL3962220 0.82 PTGS2 (0.46) FFAR4CYP19A1CYP11B1CYP11B2PDE4A
SCHEMBL3966007 0.81 FFAR4 (0.37) FFAR4PDE4BPDE4DPDE4APDE4C
SCHEMBL3966004 0.81 FFAR4 (0.37) FFAR4PDE4BPDE4DPDE4APDE4C
SCHEMBL3962209 0.80 MCL1 (0.39) FFAR4CYP19A1CYP11B1CYP11B2IKBKB
SCHEMBL3962205 0.80 MCL1 (0.39) FFAR4CYP19A1CYP11B1CYP11B2IKBKB
SCHEMBL3966733 0.75 PPARD (0.48) FFAR4
SCHEMBL3961619 0.74 PPARD (0.42) FFAR4

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 FFAR4 237/4885CYP19A1 492/4885CYP11B1 44/4885

“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.