SCHEMBL12746166

SCHEMBL12746166

COC(=O)Cc1ccc(CBr)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
GFER P55789 1/20 0.49
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
TLR7 Q9NYK1 5/20 0.47
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.46
HSP90AB1 P08238 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2850354 0.88 GAA (0.49) ALDH1A1GAAGFERABL1RIN1
SCHEMBL15861906 0.85 ALDH1A1 (0.53) ALDH1A1GAAGFERTSHRNFKB1
SCHEMBL1644709 0.85 ABL1 (0.46) ALDH1A1ABL1RIN1MEN1KMT2A
SCHEMBL13941511 0.84 GAA (0.49) ALDH1A1GAAGFERABL1RIN1
SCHEMBL4837545 0.84 ALDH1A1 (0.53) ALDH1A1GAAGFERABL1RIN1
SCHEMBL22898416 0.83 ALDH1A1 (0.50) ALDH1A1GAAGFERABL1RIN1
SCHEMBL31260362 0.82 ALDH1A1 (0.48) ALDH1A1GAAGFERABL1RIN1
SCHEMBL29626821 0.82 ALDH1A1 (0.62) ALDH1A1GAAGFERABL1RIN1
SCHEMBL198282 0.82 ALDH1A1 (0.62) ALDH1A1GAAGFERABL1RIN1
SCHEMBL31236975 0.81 ABL1 (0.56) ALDH1A1GAAGFERABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2281580-A2 Labeled gastrin releasing peptides (GRP) Bracco Imaging S.p.A (IT) 2011-02-09 EP disclosed
US-20090191183-A1 SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2009-07-30 US disclosed
WO-2009018280-A2 SUBSTITUTED INDOLES AUSPEX PHARAMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
US-20080247946-A1 Bombesin capable of complexing with metal ions, radionuclides, or optical labels; radiotherapy BRACCO IMAGING S.P.A. (IT) 2008-10-09 US disclosed
US-20070231257-A1 Radiodiagnosis, radiotherapy BRACCO IMAGING S.P.A. (IT) 2007-10-04 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 (3 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-20090191183-A1 SUBSTITUTED INDOLES CYSLTR1, LTB4R, LTB4R2 ALDH1A1 717/4885GAA 3776/4885GFER 684/4885
US-20070231257-A1 Radiodiagnosis, radiotherapy GRPR, MRGPRX2, MRGPRX1 ALDH1A1 4443/4885GAA 1131/4885GFER 1899/4885
US-20080247946-A1 Bombesin capable of complexing with metal ions, radionuclides, or optical labels; radiotherapy GRPR, MRGPRX1, BRS3 ALDH1A1 4853/4885GAA 2412/4885GFER 3721/4885

“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.