SCHEMBL13409255

SCHEMBL13409255

CCC1(OC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 9/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 3/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.36
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
HSD11B1 P28845 2/20 0.32
THRB P10828 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
SCHEMBL1410180 1.00 LMNA (0.40) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL22263664 1.00 LMNA (0.40) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL3434470 0.99 LMNA (0.41) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL7269169 0.93 LMNA (0.37) LMNAKDM4EALDH1A1HPGDPOLB
Maleic Anhydride SCHEMBL7262306 0.89 ALDH1A1 (0.34) LMNAKDM4EALDH1A1HPGDPOLB
Maleic Anhydride SCHEMBL7262875 0.88 ALDH1A1 (0.35) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL22263835 0.87 ALDH1A1 (0.44) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL6276583 0.87 ALDH1A1 (0.34) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL22344717 0.86 LMNA (0.38) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL11909235 0.86 ALDH1A1 (0.45) LMNAKDM4EALDH1A1HPGDPOLB

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 LMNA 1610/4885KDM4E 3566/4885ALDH1A1 50/4885
US-20100099906-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES GNE, GALE, EXOSC5 LMNA 1713/4885KDM4E 2962/4885ALDH1A1 230/4885

“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.