SCHEMBL1144585

SCHEMBL1144585

CCCOC(=O)/C=C(/N)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ALDH1A1 P00352 5/20 0.46
HCAR2 Q8TDS4 1/20 0.43
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ELANE P08246 1/20 0.40
ESR1 P03372 1/20 0.40
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
HPGD P15428 2/20 0.39
APP P05067 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL1144588 1.00 LMNA (0.57) LMNAALDH1A1HCAR2POLBSMN1; SMN2
SCHEMBL1144606 0.87 MAPT (0.50) LMNAALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL1144604 0.87 MAPT (0.50) LMNAALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL8227037 0.87 MAPT (0.50) LMNAALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL7689096 0.85 GAA (0.42) LMNAALDH1A1HCAR2POLBMAPK1
SCHEMBL7685591 0.83 PARP1 (0.47) LMNAALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL7685587 0.83 PARP1 (0.47) LMNAALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL7382477 0.80 TDP1 (0.37) LMNAALDH1A1HCAR2POLBSMN1; SMN2
SCHEMBL10982031 0.80 TDP1 (0.37) LMNAALDH1A1HCAR2POLBSMN1; SMN2
SCHEMBL7382480 0.80 TDP1 (0.37) LMNAALDH1A1HCAR2POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386901-B1 Method for producing an optically active beta-amino acid TAKASAGO PERFUMERY CO LTD (JP) 2015-07-01 EP disclosed
US-7893296-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-22 US disclosed
US-20060122418-A1 Method for producing an optically active beta-amino acid MATSUMURA KAZUHIKO 2006-06-08 US disclosed
US-7015348-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-21 US disclosed
US-20040023344-A1 Method for producing an optically activ beta-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-02-05 US disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 EP disclosed
US-6376521-B1 ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-23 US disclosed
WO-2000002861-A1 A3 ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-01-20 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-20060122418-A1 Method for producing an optically active beta-amino acid AADAT, DAO, BCAT2 LMNA 2333/4885ALDH1A1 784/4885HCAR2 501/4885

“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.