SCHEMBL5158141

SCHEMBL5158141

COC(=O)CC(O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
POLB P06746 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN7 P35236 1/20 0.50
BLM P54132 1/20 0.50
ESR2 Q92731 1/20 0.50
ATM Q13315 1/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
AGTR1 P30556 1/20 0.42
CYP2C19 P33261 2/20 0.41
HPGD P15428 3/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL5929569 1.00 KMT2A (0.50) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL313508 0.83 KMT2A (0.47) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL5929538 0.83 KMT2A (0.47) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL20374885 0.83 KMT2A (0.47) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL4373785 0.81 CYP2C19 (0.44) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL12897248 0.80 KMT2A (0.55) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL9498865 0.80 PPARG (0.50) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL27813691 0.80 KMT2A (0.59) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL8846438 0.79 KMT2A (0.42) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL4453575 0.78 KMT2A (0.62) KMT2APOLBL3MBTL1PKMPTPN1

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 6 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 claimed
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-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives BERENDES FRANK 2006-11-23 US 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 (2 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 KMT2A 1666/4885POLB 2040/4885L3MBTL1 4382/4885
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR KMT2A 1997/4885POLB 2045/4885L3MBTL1 4641/4885

“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.