SCHEMBL3966007

SCHEMBL3966007

O=C(O)C=C1CCc2c1ccc(OC1CCCC1)c2-c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.37
PDE4D Q08499 5/20 0.36
PDE4A P27815 5/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SOS1 Q07889 1/20 0.34
HIF1A Q16665 1/20 0.34
KMO O15229 4/20 0.34
APP P05067 1/20 0.34
ERN1 O75460 1/20 0.34
FAAH O00519 1/20 0.33
EPHX1 P07099 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 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
SCHEMBL3966004 1.00 FFAR4 (0.37) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL3962266 0.87 CCNC (0.38) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL3962264 0.87 CCNC (0.38) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL3964341 0.82 GSTP1 (0.36) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL3968829 0.81 FFAR4 (0.39) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL3968833 0.81 FFAR4 (0.39) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL3965826 0.74 PPARD (0.43) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL3965823 0.74 PPARD (0.43) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL3970524 0.74 PPARD (0.43) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL3971865 0.73 ACHE (0.37) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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 237/4885PDE4D 2191/4885PDE4A 2842/4885

“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.