SCHEMBL3970689

SCHEMBL3970689

CCOC(=O)CC1CCc2cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.37
PPARA Q07869 7/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
PPARD Q03181 8/20 0.35
FFAR1 O14842 1/20 0.34
PPARG P37231 5/20 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
SCHEMBL3966439 0.84 PPARD (0.48) PPARAPPARDFFAR1PPARG
SCHEMBL3961926 0.80 HTR2A (0.52) HSD17B1PPARAPPARDFFAR1
SCHEMBL3965573 0.75 POLB (0.41) HSD17B1CYP11B1CYP11B2PPARD
SCHEMBL3964420 0.74 HSD17B1 (0.44) HSD17B1PPARACYP11B1CYP11B2PPARD
SCHEMBL3964872 0.73 THRA (0.38) HSD17B1PPARAPPARD
SCHEMBL6816306 0.73 PPARA (0.43) PPARACYP11B1CYP11B2PPARDPPARG
SCHEMBL21538693 0.72 NQO2 (0.56) HSD17B1PPARAPPARD
SCHEMBL6816310 0.71 PPARA (0.43) PPARACYP11B1CYP11B2PPARDPPARG
SCHEMBL9017256 0.71 ACHE (0.34) CYP11B1CYP11B2FFAR1
SCHEMBL6816298 0.71 PPARA (0.37) HSD17B1PPARACYP11B1CYP11B2PPARD

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 HSD17B1 452/4885PPARA 120/4885CYP11B1 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.