SCHEMBL5160787

SCHEMBL5160787

O=C(CC(=O)N1CCCCC1)c1cc[nH]c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5158396 0.98 NPC1 (0.38) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8029191 0.78 HPGD (0.62) HPGDALDH1A1KMT2ALMNA
SCHEMBL6692694 0.77 HPGD (0.59) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8021587 0.76 HPGD (0.59) HPGDALDH1A1KMT2A
SCHEMBL5160900 0.74 PLOD2 (0.51) HPGDALDH1A1RAB9ASMN1; SMN2GAA
SCHEMBL7096878 0.74 L3MBTL1 (0.39) HPGDALDH1A1RAB9AKMT2AGAA
SCHEMBL1892277 0.73 HPGD (0.53) HPGDALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL5158586 0.72 PLOD2 (0.53) HPGDALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL5159792 0.72 GAA (0.38) ALDH1A1RAB9ASMN1; SMN2KMT2AGAA
SCHEMBL5161345 0.72 TRPA1 (0.43) HPGDALDH1A1RAB9ASMN1; SMN2NPC1

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 673/4885ALDH1A1 273/4885RAB9A 3428/4885

“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.