SCHEMBL4977295

SCHEMBL4977295

NCCC(O)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.67
KDM4E B2RXH2 2/20 0.64
GMNN O75496 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
EPHX1 P07099 2/20 0.46
ALDH1A1 P00352 1/20 0.39
SHBG P04278 1/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL10324078 0.98 TP53 (0.62) TP53KDM4EGMNNLMNAMAPT
SCHEMBL23704649 0.87
SCHEMBL15415082 0.87
SCHEMBL8503062 0.86 TP53 (0.61) TP53KDM4EGMNNLMNAMAPT
SCHEMBL6227823 0.85 TP53 (0.64) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5185757 0.85 TP53 (0.64) TP53KDM4EGMNNLMNAMAPT
SCHEMBL14463100 0.85 TP53 (0.64) TP53KDM4EGMNNLMNAMAPT
SCHEMBL133228 0.80 TP53 (1.00) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5228082 0.80 TP53 (1.00) TP53KDM4EGMNNLMNAMAPT
SCHEMBL4079339 0.80 TP53 (1.00) TP53KDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60262893-A None JP disclosed
EP-3835302-A1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR Samyang Corporation (KR) 2021-06-16 EP disclosed
WO-2020032611-A1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR 주식회사 삼양사 2020-02-13 WO disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
EP-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 EP disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 WO disclosed
JP-S60262893-A WATER-SOLUBLE CUTTING OIL YUSHIRO DO BRAZIL IND CHEM LTD 1985-12-26 JP 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD TP53 22/4885KDM4E 2024/4885GMNN 696/4885

“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.