SCHEMBL5188231

SCHEMBL5188231

OC(C#C[C@@H](O)C1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
KDM4E B2RXH2 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 3/20 0.39
SHBG P04278 1/20 0.36
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HIF1A Q16665 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
SCHEMBL5186833 1.00 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5188226 1.00 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5186842 1.00 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT
SCHEMBL30018727 0.82 EPHX1 (0.38) TP53KDM4EGMNNLMNAMAPT
SCHEMBL7110042 0.79 TP53 (0.34) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5443983 0.78 EPHX1 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5981213 0.78 EPHX1 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL9793827 0.78 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL13674295 0.78 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL612202 0.78 TP53 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389174-B1 PREPARATION AND USE OF DIOLS JOHNSON MATTHEY PLC (GB) 2007-07-11 EP disclosed
US-7232933-B2 Lewis acid-catalysed aldehyde addition reaction on hydroxyalkynes followed by hydrogenation; preparing chiral 1,4-diols suitable for the preparation of chiral phospholane ligands for use in asymmetric catalysis. JOHNSON MATTHEY PLC (GB) 2007-06-19 US disclosed
US-20040143143-A1 Lewis acid-catalysed aldehyde addition reaction on hydroxyalkynes followed by hydrogenation; preparing chiral 1,4-diols suitable for the preparation of chiral phospholane ligands for use in asymmetric catalysis. JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2004-07-22 US disclosed
EP-1389174-A1 PREPARATION AND USE OF DIOLS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2004-02-18 EP disclosed
WO-2002094741-A1 PREPARATION AND USE OF DIOLS JOHNSON MATTHEY PLC (GB) 2002-11-28 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-20040143143-A1 Lewis acid-catalysed aldehyde addition reaction on hydroxyalkynes followed by hydrogenation; preparing chiral 1,4-diols suitable for the preparation of chiral phospholane ligands for use in asymmetric catalysis. ALDH3A1, GNPAT, HACL2 TP53 4593/4885KDM4E 1924/4885GMNN 1836/4885

“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.