SCHEMBL3466030

SCHEMBL3466030

CC(C)(C)Oc1ccc(/C(=C/c2ccc(Cl)cc2Cl)CBr)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
PPARA Q07869 6/20 0.35
PPARG P37231 4/20 0.35
FABP2 P12104 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
PTGS1 P23219 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
MAPT P10636 5/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 3/20 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
SCHEMBL3466031 1.00 GABRA1 (0.39) GABRA1GABRG2GABRB3PPARAPPARG
SCHEMBL3466769 0.84 GABRA1 (0.45) GABRA1GABRG2GABRB3PTGS1MAPT
SCHEMBL3466767 0.84 GABRA1 (0.45) GABRA1GABRG2GABRB3PTGS1MAPT
SCHEMBL3466511 0.83 GABRA1 (0.41) GABRA1GABRG2GABRB3PPARGPTGS1
SCHEMBL3466513 0.83 GABRA1 (0.41) GABRA1GABRG2GABRB3PPARGPTGS1
SCHEMBL3466020 0.80 GABRA1 (0.42) GABRA1GABRG2GABRB3PTGS1MAPT
SCHEMBL3466019 0.80 GABRA1 (0.42) GABRA1GABRG2GABRB3PTGS1MAPT
SCHEMBL3465868 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3MAPTRAB9A
SCHEMBL3465871 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3MAPTRAB9A
SCHEMBL3467390 0.78 PDPK1 (0.45) GABRA1GABRG2GABRB3MAPTTDP1

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-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-10-28 US disclosed
EP-2235005-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077500-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO 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-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, SQOR, NOX5 GABRA1 349/4885GABRG2 506/4885GABRB3 496/4885

“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.