SCHEMBL5363001

SCHEMBL5363001

NCC(C(=O)O)C1CCCCCCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX1 P07099 4/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
CPN1 P15169 5/20 0.42
CPB2 Q96IY4 5/20 0.42
DPP4 P27487 1/20 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
SCHEMBL1199676 1.00 ALDH1A1 (0.55) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL6544505 1.00 ALDH1A1 (0.55) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL31344404 1.00 ALDH1A1 (0.55) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL3920149 0.98 ALDH1A1 (0.53) ALDH1A1TP53KDM4EGMNNLMNA
Hydrochloric Acid SCHEMBL6544493 0.98 ALDH1A1 (0.53) ALDH1A1TP53KDM4EGMNNLMNA
Hydrochloric Acid SCHEMBL5368323 0.98 ALDH1A1 (0.53) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL4635154 0.98 ALDH1A1 (0.52) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL5324531 0.89
Hydrochloric Acid SCHEMBL16666936 0.86 CPN1 (0.44) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL27501949 0.80 ALDH1A1 (0.44) ALDH1A1TP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US claimed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US claimed
JP-2001515483-A 2001-09-18 JP claimed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP claimed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 WO claimed
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
CN-1774635-A Anti-epileptogenic agents UNIV KINGSTON (CA) 2006-05-17 CN disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US disclosed
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US disclosed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US disclosed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP disclosed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 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 (3 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-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 ALDH1A1 712/4885TP53 4644/4885KDM4E 1626/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 ALDH1A1 432/4885TP53 4751/4885KDM4E 1615/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 ALDH1A1 712/4885TP53 4644/4885KDM4E 1626/4885

“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.