SCHEMBL17372500

SCHEMBL17372500

CCCC[Sn](CCCC)(CCCC)c1ccc(CC)o1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3361342 0.86 CTRC (0.33)
SCHEMBL3477755 0.84 EPHX2 (0.46) ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL1098786 0.78 TDP1 (0.39)
SCHEMBL1515036 0.78 CTRC (0.30)
SCHEMBL6765107 0.77
SCHEMBL3370665 0.77
SCHEMBL2282763 0.75 ALDH1A1 (0.46) ALDH1A1NPSR1
SCHEMBL1097063 0.75
SCHEMBL11907411 0.75 PTGS1 (0.48) ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL1098333 0.74 MEN1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536509-B Novel compounds as dual inhibitors of histone methyltransferase and DNA methyltransferase 基础应用医学研究基金会 2020-06-09 CN disclosed
EP-3154957-B1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF HISTONE METHYLTRANSFERASES AND DNA METHYLTRANSFERASES FUNDACION PARA LA INVESTIG MEDICA APLICADA (ES) 2019-11-20 EP disclosed
US-9840500-B2 Compounds as dual inhibitors of histone methyltransferases and DNA methyltransferases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-12-12 US disclosed
US-20170121316-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF HISTONE METHYLTRANSFERASES AND DNA METHYLTRANSFERASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-05-04 US disclosed
EP-3154957-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF HISTONE METHYLTRANSFERASES AND DNA METHYLTRANSFERASES Fundacion para la Investigacion Medica Aplicada (ES) 2017-04-19 EP disclosed
CN-106536509-A Novel compounds as dual inhibitors of histone methyltransferases and dna methyltransferases 基础应用医学研究基金会 2017-03-22 CN disclosed
WO-2015192981-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF HISTONE METHYLTRANSFERASES AND DNA METHYLTRANSFERASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2015-12-23 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-20170121316-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF HISTONE METHYLTRANSFERASES AND DNA METHYLTRANSFERASES DOT1L, DNMT3B, CARM1 ALOX5 4562/4885PTGS1 3312/4885PTGS2 2997/4885

“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.