SCHEMBL12082011

SCHEMBL12082011

Cc1ccc2c(c1)OC(C)(C)C=C2c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.46
RARB P10826 3/20 0.46
RARG P13631 3/20 0.46
MAOB P27338 2/20 0.37
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33
APP P05067 1/20 0.33
PPARG P37231 1/20 0.32
CNR2 P34972 1/20 0.32
TP53 P04637 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
SCHEMBL3023515 0.84 RARA (0.38) RARARARBRARGMAOBMAPT
SCHEMBL3027431 0.84 NPC1 (0.40) RARARARBRARGNPC1RAB9A
SCHEMBL3030838 0.84 KDM4E (0.41) RARARARBRARGMAOBOPRD1
SCHEMBL14666717 0.81 RARA (0.38) RARARARBRARGMAOBMEN1
SCHEMBL13214224 0.81 RARA (0.39) RARARARBRARGPPARG
SCHEMBL9845357 0.80 OPRD1 (0.45) RARARARBRARGOPRD1KCNH2
SCHEMBL14822726 0.80 RARA (0.35) RARARARBRARGMAOB
SCHEMBL3029242 0.79 RARB (0.51) RARARARBRARGNPC1RAB9A
SCHEMBL3023787 0.79 PTGS2 (0.39) RARARARBRARGCNR2
SCHEMBL24727712 0.78 RARA (0.57) RARARARBRARGMAOBOPRD1

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
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

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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R RARA 534/4885RARB 552/4885RARG 443/4885

“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.