SCHEMBL2809249

SCHEMBL2809249

CC(C)c1cc(C(C)C)c(CBr)cc1CBr

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GABRA1 P14867 5/20 0.37
GABRB1 P18505 3/20 0.37
GSR P00390 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
GABRB2 P47870 2/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
TRPA1 O75762 1/20 0.30
LMNA P02545 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL6861218 0.76 CA1 (0.33) GABRA1GABRB1GSRCA1CA2
SCHEMBL9363718 0.76 HSP90AB1 (0.40) HSP90AB1GABRA1GABRB1GSRCA1
SCHEMBL2649083 0.76 GABRA1 (0.44) HSP90AA1HSP90AB1GABRA1GABRB1GSR
SCHEMBL605602 0.74 LMNA (0.39) HSP90AA1HSP90AB1GABRA1FABP3FABP4
SCHEMBL31112010 0.72 GABRA1 (0.43) HSP90AA1HSP90AB1GABRA1GABRB1LMNA
SCHEMBL9684250 0.72 PRKCE (0.38) CA1CA2LMNA
SCHEMBL11796450 0.71 ACHE (0.37) HSP90AA1HSP90AB1CA1CA2FABP3
SCHEMBL371433 0.71 CA1 (0.47) GABRA1GABRB1CA1CA2FABP3
SCHEMBL338590 0.71 TRPA1 (0.32) TRPA1
SCHEMBL6269855 0.70 ALOX15 (0.37) HSP90AA1HSP90AB1GABRA1GABRB1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH HSP90AA1 2988/4885HSP90AB1 2662/4885GABRA1 4263/4885

“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.