SCHEMBL3969341

SCHEMBL3969341

CCOC(=O)C=C1CCc2cc(OC3CCCC3)c(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
SLC6A3 Q01959 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
PDE4B Q07343 3/20 0.33
POLB P06746 2/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 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
SCHEMBL3969339 1.00 CCNC (0.41) CCNCCDK8SLC6A3SLC6A2SLC6A4
SCHEMBL3968829 0.87 FFAR4 (0.39) CCNCCDK8SLC6A3SLC6A2SLC6A4
SCHEMBL3968833 0.87 FFAR4 (0.39) CCNCCDK8SLC6A3SLC6A2SLC6A4
SCHEMBL3962266 0.83 CCNC (0.38) CCNCCDK8SLC6A3SLC6A2SLC6A4
SCHEMBL3962264 0.83 CCNC (0.38) CCNCCDK8SLC6A3SLC6A2SLC6A4
SCHEMBL3965855 0.77 MAOA (0.43) MAOAMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL3965854 0.77 MAOA (0.43) MAOAMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL3962220 0.77 PTGS2 (0.46) SLC6A3SLC6A2FFAR4CYP19A1CYP11B1
SCHEMBL3965811 0.76 CYP11B1 (0.40) CCNCCDK8SLC6A3SLC6A2SLC6A4
SCHEMBL3968890 0.76 CYP11B1 (0.38) CCNCCDK8SLC6A3SLC6A2SLC6A4

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 CCNC 1542/4885CDK8 1026/4885SLC6A3 3674/4885

“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.