SCHEMBL3962220

SCHEMBL3962220

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
GSTP1 P09211 1/20 0.40
MAPK10 P53779 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
MCHR1 Q99705 2/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SLC6A2 P23975 1/20 0.34
IKBKB O14920 3/20 0.34
CHUK O15111 3/20 0.34
PDE4A P27815 1/20 0.34
PTGER3 P43115 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LCK P06239 1/20 0.34
ROCK1 Q13464 1/20 0.34
PRKCZ Q05513 1/20 0.34

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
SCHEMBL3964523 0.83 MAOA (0.41) GSTP1MAPK10MCHR1SLC6A2IKBKB
SCHEMBL3968829 0.82 FFAR4 (0.39) CYP19A1CYP11B1CYP11B2MAPK10FFAR4
SCHEMBL3968833 0.82 FFAR4 (0.39) CYP19A1CYP11B1CYP11B2MAPK10FFAR4
SCHEMBL3964341 0.78 GSTP1 (0.36) PTGS2GSTP1FFAR4MCHR1HDAC4
SCHEMBL3969339 0.77 CCNC (0.41) CYP19A1CYP11B1CYP11B2MAPK10FFAR4
SCHEMBL3969341 0.77 CCNC (0.41) CYP19A1CYP11B1CYP11B2MAPK10FFAR4
SCHEMBL3968839 0.76 MAOB (0.48) CYP19A1CYP11B1CYP11B2GSTP1IKBKB
SCHEMBL4195204 0.75 GSTP1 (0.50) CYP11B1CYP11B2GSTP1HDAC4HDAC2
SCHEMBL3966733 0.74 PPARD (0.48) FFAR4
SCHEMBL3961619 0.73 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 PTGS2 18/4885CYP19A1 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.