SCHEMBL12017342

SCHEMBL12017342

CCC1(CC)C=C(c2ccc(F)cc2)c2ccc(OS(=O)(=O)C(F)(F)F)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAOB P27338 1/20 0.35
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.33
HTR1D P28221 4/20 0.32
HTR1A P08908 3/20 0.32
HTR1B P28222 3/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
HSD11B1 P28845 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD4 P21917 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3016905 0.86 PPARG (0.42) CNR2ALDH1A1MAOBPPARAPPARG
SCHEMBL14666734 0.82 MAOB (0.41) ALDH1A1MAOBLMNAPOLBNPSR1
SCHEMBL12082058 0.81 OPRD1 (0.38) CNR2MAOB
SCHEMBL12082049 0.77 PPARG (0.47) CNR2ALDH1A1MAOBPPARAPPARG
SCHEMBL12081758 0.76 NR3C2 (0.44) ALDH1A1LMNA
SCHEMBL3022649 0.76 PPARG (0.41) CNR2ALDH1A1MAOBPPARAPPARG
SCHEMBL3030842 0.76 PPARG (0.47) ALDH1A1MAOBPPARAPPARGDRD2
SCHEMBL3025597 0.75 PPARA (0.34) ALDH1A1PPARADRD2DRD3HSD11B1
SCHEMBL27789199 0.74 CNR2 (0.40) CNR2ALDH1A1MAOBPPARAPPARG
SCHEMBL14666700 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R CNR2 87/4885ALDH1A1 4156/4885MAOB 1074/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R CNR2 86/4885ALDH1A1 4064/4885MAOB 1236/4885

“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.