SCHEMBL5551683

SCHEMBL5551683

O=C(Cl)C(Cl)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
SLC1A1 P43005 1/20 0.50
TSHR P16473 1/20 0.48
TACR1 P25103 2/20 0.45
FOLH1 Q04609 1/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL809052 0.87 SLC1A1 (0.55) ALDH1A1CA1CA2CA7CA9
SCHEMBL809091 0.86 SLC1A1 (0.54) ALDH1A1CA1CA2CA7CA9
SCHEMBL809237 0.86 SLC1A1 (0.54) ALDH1A1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL5551687 0.86 SLC1A1 (0.54) ALDH1A1CA1CA2CA7CA9
SCHEMBL11025934 0.84 ALDH1A1 (0.55) ALDH1A1CA1CA2CA7CA9
SCHEMBL809238 0.83 SLC1A1 (0.48) ALDH1A1CA1CA2CA7CA9
Potassium Ion SCHEMBL809092 0.83 SLC1A1 (0.48) ALDH1A1CA1CA2CA7CA9
SCHEMBL31532270 0.81 ALDH1A1 (0.47) ALDH1A1CA1CA2CA7CA9
SCHEMBL31532269 0.81 ALDH1A1 (0.47) ALDH1A1CA1CA2CA7CA9
SCHEMBL22288499 0.81 ALDH1A1 (0.50) ALDH1A1CA1CA2CA7CA9

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211241-B2 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-01 US disclosed
US-6861043-B2 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AG (DE) 2005-03-01 US disclosed
US-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
CN-1148360-C Intermediate for preparing cascade polymeric ligand and contrast medium ���ֹɷݹ�˾ 2004-05-05 CN disclosed
US-RE38329-E1 Chelated complexes of paramagnetic metals with low toxicity BRACCO IMAGING S.P.A. (IT) 2003-11-25 US disclosed
US-20020187101-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AG (DE) 2002-12-12 US disclosed
CN-1377881-A Intermediate for preparing cascade polymeric ligand and contrast medium SCHERING AG (DE) 2002-11-06 CN disclosed
EP-0872479-B1 Chelated complexes of paramagnetic metals with low toxicity BRACCO SPA (IT) 2002-09-04 EP disclosed
US-6426059-B1 NUCLEAR MAGNETIC RESONANCE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-07-30 US disclosed
EP-0836485-B1 CASCADE POLYMER COMPLEXES SCHERING AG (DE) 2002-07-24 EP disclosed
EP-0703790-A1 IODINATED PARAMAGNETIC CHELATES, AND THEIR USE AS CONTRAST AGENTS BRACCO S.p.A. (IT) 1996-04-03 EP disclosed
WO-1996004259-A1 MACROCYCLIC CHELANTS, THEIR CHELATES AND USES THEREOF IN THE DIAGNOSTIC FIELD BRACCO S.P.A. (IT) 1996-02-15 WO disclosed
WO-1995032741-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.P.A. (IT) 1995-12-07 WO disclosed
WO-1995015319-A1 PARAMAGNETIC CHELATES FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSIS BRACCO S.P.A. (IT) 1995-06-08 WO disclosed
EP-0325762-B1 Macrocyclic chelating agents and chelates thereof BRACCO SPA (IT) 1995-03-22 EP disclosed
WO-1994027644-A1 IODINATED PARAMAGNETIC CHELATES, AND THEIR USE AS CONTRAST AGENTS BRACCO S.P.A. (IT) 1994-12-08 WO disclosed
US-5132409-A Derivatives of 1,4,7,10-Tetraazacyclododecane BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1992-07-21 US disclosed
EP-0440606-A1 MACROCYCLIC CHELATING AGENTS AND CHELATES THEREOF BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1991-08-14 EP disclosed
EP-0325762-A1 Macrocyclic chelating agents and chelates thereof BRACCO S.p.A. (IT) 1989-08-02 EP disclosed
WO-1989005802-A1 MACROCYCLIC CHELATING AGENTS AND CHELATES THEREOF BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1989-06-29 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 (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-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes ZYX, CCNY, MOK ALDH1A1 4835/4885CA1 1192/4885CA2 838/4885
US-20020187101-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes TFPI, LYN, SYK ALDH1A1 4854/4885CA1 3330/4885CA2 3368/4885

“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.