SCHEMBL3962243

SCHEMBL3962243

CCOC(=O)CC1CCc2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.48
HSD17B1 P14061 1/20 0.47
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
PPARA Q07869 7/20 0.44
PPARG P37231 4/20 0.44
FFAR1 O14842 1/20 0.41

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
SCHEMBL16077453 0.86 PPARD (0.53) PPARDHSD17B1CYP11B1CYP11B2PPARA
SCHEMBL13284781 0.86 PPARD (0.53) PPARDHSD17B1CYP11B1CYP11B2PPARA
SCHEMBL820900 0.85 HSD17B1 (0.61) PPARDHSD17B1PPARAFFAR1
SCHEMBL2464209 0.85 HSD17B1 (0.61) PPARDHSD17B1PPARAFFAR1
SCHEMBL30515129 0.85 HSD17B1 (0.61) PPARDHSD17B1PPARAFFAR1
SCHEMBL12035621 0.85 HSD17B1 (0.61) PPARDHSD17B1PPARAFFAR1
SCHEMBL12035617 0.83 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL821443 0.83 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL821099 0.83 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL3966013 0.82 PPARD (0.46) PPARDHSD17B1CYP11B1CYP11B2PPARA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US 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
CN-101133037-A Six-membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORP (JP) 2008-02-27 CN disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US 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 (2 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 PPARD 88/4885HSD17B1 452/4885CYP11B1 44/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PPARD 1956/4885HSD17B1 369/4885CYP11B1 3/4885

“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.