SCHEMBL991097

SCHEMBL991097

COC(=O)CCc1cc(-c2ccc(Cl)cc2-c2c[nH]nn2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
EGFR P00533 1/20 0.36
PTGS1 P23219 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
CCR9 P51686 2/20 0.35
GSK3B P49841 1/20 0.34
VCAM1 P19320 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TBXAS1 P24557 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL3006059 0.89 GAA (0.44) GAAKMT2AMEN1PTGS1MAOB
SCHEMBL3919073 0.86 EPHX2 (0.37) GAAKMT2AMEN1ALDH1A1
SCHEMBL990405 0.83 ALDH1A1 (0.42) GAAKMT2AALDH1A1LMNA
SCHEMBL827914 0.78 HSP90AA1 (0.40) LMNAHTTSMN1; SMN2
SCHEMBL1870423 0.76 GAA (0.42) GAAKMT2AMEN1PTGS1MAOB
SCHEMBL5018040 0.76 KMT2A (0.40) GAAKMT2AMEN1EGFRPTGS1
SCHEMBL5329783 0.76 GAA (0.40) GAAKMT2AMEN1EGFRPTGS1
SCHEMBL7642933 0.76 AGPAT2 (0.47) GAAKMT2AEGFRPTGS1SMN1; SMN2
SCHEMBL2995152 0.75 CNR2 (0.37) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL490767 0.74 GAA (0.67) GAAKMT2AMEN1PTGS1VCAM1

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
US-20140336312-A1 STABILIZER MIXTURE BASF SE (DE) 2014-11-13 US disclosed
US-8822575-B2 Stabilizer mixture BASF SE (DE) 2014-09-02 US disclosed
EP-2456817-A1 DERIVATIVES OF DIPHOSPHINES AS FLAME RETARDANTS IN AROMATIC AND/OR HETEROAROMATIC EPOXY RESINS BASF SE (DE) 2012-05-30 EP disclosed
US-20110269896-A1 MOLDED PARTS HAVING IMPROVED SURFACES BAYER MATERIAL SCIENCE AG (DE) 2011-11-03 US disclosed
US-20110130493-A1 STABILIZER MIXTURE BASF SE (DE) 2011-06-02 US disclosed
WO-2011009876-A1 DERIVATIVES OF DIPHOSPHINES AS FLAME RETARDANTS IN AROMATIC AND/OR HETEROAROMATIC EPOXY RESINS BASF SE (DE) 2011-01-27 WO disclosed
EP-2190903-A1 CYCLIC PHOSPHINES AS FLAME RETARDANTS BASF SE (DE) 2010-06-02 EP disclosed
EP-2038339-A2 METHOD OF PROTECTING ORGANIC MATERIAL FROM LIGHT Ciba Holding Inc. (CH) 2009-03-25 EP disclosed
WO-2009030708-A1 CYCLIC PHOSPHINES AS FLAME RETARDANTS BASF SE (DE) 2009-03-12 WO disclosed
US-20090029121-A1 NANOPARTICULATE METAL BORIDE COMPOSITION AND ITS USE FOR IDENTIFICATION-MARKING PLASTIC PARTS BASF SE (DE) 2009-01-29 US disclosed
US-20080167189-A1 Polymer Compositions and Their Use in the Production of Active or Effective Ingredient Compositions BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US disclosed
WO-2008006722-A2 METHOD OF PROTECTING ORGANIC MATERIAL FROM LIGHT CIBA HOLDING INC. (CH) 2008-01-17 WO disclosed
US-5804622-A STERIC HINDRANCE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-09-08 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 (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-20080167189-A1 Polymer Compositions and Their Use in the Production of Active or Effective Ingredient Compositions GANC, PHOSPHO1, PGLS GAA 38/4885KMT2A 3150/4885MEN1 3972/4885

“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.