SCHEMBL3466513

SCHEMBL3466513

CC(C)(C)c1ccc(C(=Cc2ccc(Cl)cc2Cl)CBr)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SERPINE1 P05121 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3466511 1.00 GABRA1 (0.41) GABRA1GABRG2GABRB3LMNASMN1; SMN2
SCHEMBL3466767 0.87 GABRA1 (0.45) GABRA1GABRG2GABRB3LMNASMN1; SMN2
SCHEMBL3466769 0.87 GABRA1 (0.45) GABRA1GABRG2GABRB3LMNASMN1; SMN2
SCHEMBL3466031 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNASMN1; SMN2
SCHEMBL3466030 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNASMN1; SMN2
SCHEMBL3466020 0.83 GABRA1 (0.42) GABRA1GABRG2GABRB3LMNASMN1; SMN2
SCHEMBL3466019 0.83 GABRA1 (0.42) GABRA1GABRG2GABRB3LMNASMN1; SMN2
SCHEMBL3465868 0.82 GABRA1 (0.41) GABRA1GABRG2GABRB3SMN1; SMN2HTT
SCHEMBL3465871 0.82 GABRA1 (0.41) GABRA1GABRG2GABRB3SMN1; SMN2HTT
SCHEMBL3467390 0.81 PDPK1 (0.45) GABRA1GABRG2GABRB3LMNAHTT

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.