SCHEMBL5159769

SCHEMBL5159769

O=C(CC(=O)N1CCCCC1)c1cocn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL5161648 0.98 LMNA (0.37) HPGDSMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL31017961 0.80 HPGD (0.47) HPGDSMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL5158189 0.73 L3MBTL1 (0.53) HPGDSMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL5163295 0.73 HPGD (0.39) HPGDSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL5158185 0.72 L3MBTL1 (0.47) HPGDSMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL19438494 0.72 PIK3CD (0.37) HTTLMNAMAPTTDP1
SCHEMBL5158842 0.72 F2R (0.35)
SCHEMBL5163554 0.72 P2RX7 (0.47) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL5160601 0.71 L3MBTL1 (0.54) SMN1; SMN2HTTL3MBTL1ALDH1A1KMT2A
SCHEMBL5161345 0.71 TRPA1 (0.43) HPGDSMN1; SMN2L3MBTL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO HPGD 673/4885SMN1; SMN2 4683/4885HTT 1422/4885

“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.