SCHEMBL5873554

SCHEMBL5873554

C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C1OCC(C)(C)CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
ALOX15 P16050 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGS1 P23219 2/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HIF1A Q16665 1/20 0.34
GMNN O75496 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
CYP3A4 P08684 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
TP53 P04637 1/20 0.32
APP P05067 1/20 0.32
SNCA P37840 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
DRD3 P35462 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
SCHEMBL7083322 1.00 ALDH1A1 (0.35) ALDH1A1TSHRALOX15TDP1RECQL
SCHEMBL7083319 1.00 ALDH1A1 (0.35) ALDH1A1TSHRALOX15TDP1RECQL
SCHEMBL5873557 1.00 ALDH1A1 (0.35) ALDH1A1TSHRALOX15TDP1RECQL
SCHEMBL14458051 0.94
SCHEMBL9689416 0.88 ALDH1A1 (0.38) ALDH1A1TSHRALOX15TDP1RECQL
SCHEMBL9689412 0.88 ALDH1A1 (0.38) ALDH1A1TSHRALOX15TDP1RECQL
SCHEMBL7082297 0.83 LMNA (0.36) ALDH1A1TSHRALOX15TDP1RECQL
SCHEMBL7082300 0.83 LMNA (0.36) ALDH1A1TSHRALOX15TDP1RECQL
SCHEMBL8162940 0.82
SCHEMBL8162935 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045641-B2 Process for preparing polyenedialdehyde monoacetals BASF AKTIENGESELLSCHAFT (DE) 2006-05-16 US disclosed
US-20030158427-A1 Process for preparing polyenedialdehyde monoacetals BASF AKTIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
EP-1325919-A1 Process for the preparation of polyendialdehydemonoacetals BASF AKTIENGESELLSCHAFT (DE) 2003-07-09 EP 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-20030158427-A1 Process for preparing polyenedialdehyde monoacetals PDHA2, AKR1C4, SRD5A2 ALDH1A1 49/4885TSHR 4101/4885ALOX15 1234/4885

“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.