SCHEMBL5164288

SCHEMBL5164288

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.36
SCN4A P35499 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPRC P08575 2/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
ACACB O00763 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5158168 0.83 KMT2A (0.44) NPC1SMN1; SMN2ALDH1A1LMNAALOX15
SCHEMBL5162771 0.79 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2933008 0.78 CA12 (0.42) SCN3ASCN4AALDH1A1LMNAALOX15
SCHEMBL5159969 0.77 TSHR (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL768486 0.76 KMT2A (0.57) NPC1RAB9ASMN1; SMN2PTPRCALDH1A1
SCHEMBL1200949 0.75 NPC1 (0.59) NPC1RAB9AALDH1A1LMNAALOX15
SCHEMBL5160415 0.74 ALDH1A1 (0.35) PTPRCALDH1A1ACACBKDM4E
SCHEMBL9859381 0.73 ERCC5 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL10029758 0.73 CAPN1 (0.42) NPC1RAB9ASMN1; SMN2PLA2G10PLA2G5
SCHEMBL29025694 0.73 PLOD2 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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 SCN3A 1296/4885SCN4A 1977/4885NPC1 2400/4885

“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.