SCHEMBL13409254

SCHEMBL13409254

O=C1OCCC1OC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
ESR2 Q92731 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL120085 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL3881811 0.78 KDM4E (0.38) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL75458 0.76 LMNA (0.41) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL22789979 0.76 LMNA (0.41) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL3877540 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL3871321 0.72 KDM4E (0.40) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL13867048 0.72 KDM4E (0.40) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL3873295 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL15339882 0.72 LMNA (0.45) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL9908400 0.71 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDPOLB

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
US-20100099906-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES PROMERUS LLC (US) 2010-04-22 US disclosed
US-20100099906-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES PROMERUS LLC (US) 2010-04-22 US disclosed
WO-2009061723-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES PROMERUS, LLC (US) 2009-05-14 WO disclosed
US-20090118539-A1 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization PROMERUS, LLC (US) 2009-05-07 US disclosed
US-20090118539-A1 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization PROMERUS, LLC (US) 2009-05-07 US 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 (2 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-20090118539-A1 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization MMAB, ADH1C, OXER1 ALDH1A1 50/4885KDM4E 3566/4885HSD17B10 1279/4885
US-20100099906-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES GNE, GALE, EXOSC5 ALDH1A1 230/4885KDM4E 2962/4885HSD17B10 1570/4885

“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.