SCHEMBL3472516

SCHEMBL3472516

O=C(O)c1cc2c(c(Cl)c1Cl)C(=O)OC21c2cc(Cl)c(O)c(Cl)c2Oc2c1cc(Cl)c(O)c2Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.44
RECQL P46063 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
BLM P54132 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
HIF1A Q16665 1/20 0.44
GLB1 P16278 1/20 0.44
CTRC Q99895 1/20 0.44
SMAD3 P84022 1/20 0.41
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 3/20 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
SCHEMBL18171688 0.86 ALDH1A1 (0.44) THRBRECQLTDP1MEN1KMT2A
SCHEMBL204164 0.85 ALDH1A1 (0.48) THRBRECQLTDP1MEN1KMT2A
SCHEMBL202598 0.85 ALDH1A1 (0.48) THRBRECQLTDP1MEN1KMT2A
SCHEMBL5508223 0.78 SMAD3 (0.38) THRBRECQLTDP1MEN1KMT2A
SCHEMBL37698 0.76 HPGD (0.54) THRBRECQLTDP1MEN1KMT2A
SCHEMBL6823049 0.75 RECQL (0.43) THRBRECQLTDP1MEN1KMT2A
SCHEMBL203192 0.75 GNG2 (0.43) THRBRECQLTDP1MEN1KMT2A
SCHEMBL347626 0.75 THRB (0.50) THRBRECQLTDP1MEN1KMT2A
SCHEMBL5094500 0.74 THRB (0.41) THRBRECQLTDP1MEN1KMT2A
SCHEMBL29486978 0.74 MEN1 (0.61) THRBRECQLTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711825-A4 CONJUGATED SMALL MOLECULES AMBIT BIOSCIENCES CORP (US) 2008-01-23 EP claimed
JP-2007521338-A 2007-08-02 JP claimed
EP-1711825-A2 CONJUGATED SMALL MOLECULES Ambit Biosciences Corporation (US) 2006-10-18 EP claimed
WO-2005067644-A2 CONJUGATED SMALL MOLECULES AMBIT BIOSCIENCES CORPORATION (US) 2005-07-28 WO claimed
US-20050153371-A1 Conjugated small molecules AMBIT BIOSCIENCES CORPORATION 2005-07-14 US claimed
US-20100048890-A1 CONJUGATED SMALL MOLECULES DISCOVERX CORPORATION 2010-02-25 US disclosed
EP-1109935-B1 TWO-COLOUR DIFFERENTIAL DISPLAY, USED AS A METHOD FOR DETECTING REGULATED GENES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-02-20 EP disclosed
EP-1711825-A4 CONJUGATED SMALL MOLECULES AMBIT BIOSCIENCES CORP (US) 2008-01-23 EP disclosed
EP-1711825-A2 CONJUGATED SMALL MOLECULES Ambit Biosciences Corporation (US) 2006-10-18 EP disclosed
WO-2005067644-A2 CONJUGATED SMALL MOLECULES AMBIT BIOSCIENCES CORPORATION (US) 2005-07-28 WO disclosed
US-20050153371-A1 Conjugated small molecules AMBIT BIOSCIENCES CORPORATION 2005-07-14 US disclosed
US-6645741-B2 Screening nucleotide sequences samples; obtain nucleotide sequences, incubate with primers, amplify nucleotide sequences, analyzing amplified nucleotide sequences AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-11 US disclosed
US-20020090636-A1 Screening nucleotide sequences samples; obtain nucleotide sequences, incubate with primers, amplify nucleotide sequences, analyzing amplified nucleotide sequences AVENTIS PHARMA DEUTSCHLAND GMBH. 2002-07-11 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 (2 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-20100048890-A1 CONJUGATED SMALL MOLECULES ERBB2, ALK, ACP1 THRB 2854/4885RECQL 4449/4885TDP1 3880/4885
US-20050153371-A1 Conjugated small molecules ERBB2, ALK, ACP1 THRB 2854/4885RECQL 4449/4885TDP1 3880/4885

“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.