SCHEMBL3968705

SCHEMBL3968705

CCOC(=O)CC1CCc2cc(OCc3ccccc3F)c(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
SCN3A Q9NY46 2/20 0.40
PPARA Q07869 8/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 3/20 0.37
KCNH2 Q12809 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PKM P14618 1/20 0.35
HSD17B1 P14061 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
SCHEMBL3970146 0.89 PPARD (0.46) SCN3APPARAPPARGPPARD
SCHEMBL3963800 0.84 CYP11B1 (0.42) CYP11B1CYP11B2SCN3APPARAPPARG
SCHEMBL3967329 0.82 CYP11B1 (0.44) CYP11B1CYP11B2PPARAPPARGPPARD
SCHEMBL3965811 0.82 CYP11B1 (0.40) CYP11B1CYP11B2PPARAPPARGPPARD
SCHEMBL3966953 0.81 PPARD (0.44) CYP11B1CYP11B2PPARAPPARGPPARD
SCHEMBL3961784 0.80 CYP11B1 (0.42) CYP11B1CYP11B2PPARAPPARGPPARD
SCHEMBL3964889 0.80 CYP11B1 (0.38) CYP11B1CYP11B2PPARAPPARGPPARD
SCHEMBL3964888 0.79 CYP11B1 (0.41) CYP11B1CYP11B2PPARAPPARGPPARD
SCHEMBL3969607 0.79 CYP11B1 (0.41) CYP11B1CYP11B2PPARAPPARGPPARD
SCHEMBL3958856 0.78 CYP11B1 (0.41) CYP11B1CYP11B2PPARAPPARGPPARD

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 47/4885SCN3A 3303/4885

“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.