SCHEMBL5161648

SCHEMBL5161648

O=C(CC(=O)N1CCCC1)c1cocn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 8/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
TSHR P16473 2/20 0.35
ECE2 P0DPD6 1/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PIK3CD O00329 1/20 0.35
ATM Q13315 1/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5159769 0.98 HPGD (0.38) LMNAALDH1A1KDM4ETDP1HPGD
SCHEMBL31017961 0.78 HPGD (0.47) ALDH1A1TDP1HPGDSMN1; SMN2PIK3CD
SCHEMBL5158842 0.73 F2R (0.35) PIK3CD
SCHEMBL19438494 0.73 PIK3CD (0.37) LMNATDP1HTTPIK3CDMAPT
SCHEMBL5160601 0.72 L3MBTL1 (0.54) LMNAALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL5160532 0.72 HPGD (0.37) LMNAALDH1A1KDM4ETDP1HPGD
SCHEMBL5161650 0.71 ALDH1A1 (0.48) LMNAALDH1A1KDM4ETDP1HPGD
SCHEMBL5163295 0.71 HPGD (0.39) ALDH1A1HPGDSMN1; SMN2HTTTSHR
SCHEMBL5163142 0.71 P2RX7 (0.49) TDP1HPGDSMN1; SMN2L3MBTL1ECE2
SCHEMBL5158189 0.71 L3MBTL1 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2HTT

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 LMNA 3165/4885ALDH1A1 273/4885KDM4E 862/4885

“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.