SCHEMBL3966636

SCHEMBL3966636

CCOC(=O)CC1CCc2cc(OC3CCCC3)c(-c3ccc4sccc4c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CA12 O43570 2/20 0.34
ENPP1 P22413 1/20 0.34
PPARA Q07869 10/20 0.33
PPARD Q03181 9/20 0.33
HSD17B1 P14061 1/20 0.33
PPARG P37231 1/20 0.33
CA2 P00918 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
FFAR1 O14842 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL3966435 0.89 FFAR1 (0.41) PPARAPPARDFFAR1
SCHEMBL3965811 0.86 CYP11B1 (0.40) CYP11B1CYP11B2PPARAPPARDHSD17B1
SCHEMBL3968890 0.82 CYP11B1 (0.38) CYP11B1CYP11B2PPARAHSD17B1PPARG
SCHEMBL3965573 0.76 POLB (0.41) CYP11B1CYP11B2PPARDHSD17B1
SCHEMBL3966733 0.74 PPARD (0.48) PPARAPPARDPPARGFFAR1
SCHEMBL3969570 0.71 PPARD (0.52) PPARAPPARDHSD17B1FFAR1
SCHEMBL3967329 0.71 CYP11B1 (0.44) CYP11B1CYP11B2PPARAPPARDHSD17B1
SCHEMBL3967925 0.71 POLB (0.41) CYP11B1CYP11B2HSD17B1
SCHEMBL3966953 0.71 PPARD (0.44) CYP11B1CYP11B2PPARAPPARDPPARG
SCHEMBL3969607 0.70 CYP11B1 (0.41) CYP11B1CYP11B2PPARAPPARDHSD17B1

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 CYP11B1 44/4885CYP11B2 47/4885CA12 3635/4885

“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.