SCHEMBL5162423

SCHEMBL5162423

O=C(CC(=O)N1CCCCC1)c1cc[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5162764 0.98 RAB9A (0.40) RAB9AHPGDPOLBMAPTSMN1; SMN2
SCHEMBL15313374 0.79 HPGD (0.50) RAB9AHPGDPOLBSMN1; SMN2MEN1
SCHEMBL21855955 0.78 ALDH1A1 (0.47) HPGDPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL3308470 0.77 GNE (0.49) RAB9AHPGDPOLBMAPTSMN1; SMN2
SCHEMBL5163295 0.73 HPGD (0.39) RAB9AHPGDPOLBMAPTSMN1; SMN2
SCHEMBL5158189 0.73 L3MBTL1 (0.53) RAB9AHPGDPOLBMAPTSMN1; SMN2
SCHEMBL28098355 0.72 ALDH1A1 (0.34) RAB9AHPGDPOLBMAPTSMN1; SMN2
SCHEMBL4234238 0.72 HTT (0.50) POLB
SCHEMBL1574233 0.72 HTT (0.50) POLB
SCHEMBL5161547 0.72 MEN1 (0.31) MAPTMEN1KMT2AGAA

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 RAB9A 3428/4885HPGD 673/4885POLB 2040/4885

“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.