SCHEMBL5382402

SCHEMBL5382402

CC(C)C(O)=CC(O)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LTA4H P09960 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
CTSK P43235 5/20 0.33
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CPB2 Q96IY4 2/20 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
SCHEMBL5185806 0.76 PTGER4 (0.33) PTGER4PTGER3PTGER2
SCHEMBL7286547 0.75 PTGER4 (0.35) PTGER4PTGER3PTGER2CTSL
SCHEMBL9897850 0.71 CTSK (0.40) MEN1KMT2ALTA4HCTSKCTSL
SCHEMBL16855279 0.71 CTSK (0.40) MEN1KMT2ALTA4HCTSKCTSL
SCHEMBL1037969 0.71 CTSK (0.40) MEN1KMT2ALTA4HCTSKCTSL
SCHEMBL6660560 0.71 CTSK (0.40) MEN1KMT2ALTA4HCTSKCTSL
SCHEMBL9819752 0.71 CTSK (0.40) MEN1KMT2ALTA4HCTSKCTSL
SCHEMBL13718823 0.71 CTSK (0.40) MEN1KMT2ALTA4HCTSKCTSL
SCHEMBL7286099 0.70 REN (0.39) MEN1KMT2APTGER4PTGER3PTGER2
SCHEMBL9450427 0.70 IDO1 (0.37) PTGER4PTGER3PTGER2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4038/4885KMT2A 1677/4885LTA4H 34/4885

“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.