SCHEMBL3814849

SCHEMBL3814849

O=C(O)CC(O)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
PKM P14618 3/20 0.62
POLB P06746 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
PTPN1 P18031 2/20 0.62
PTPN7 P35236 1/20 0.62
BLM P54132 1/20 0.62
ESR2 Q92731 1/20 0.62
MIF P14174 1/20 0.57
CYP2C19 P33261 3/20 0.50
MEN1 O00255 3/20 0.47
AGTR1 P30556 1/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 3/20 0.44
GLA P06280 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL4453575 1.00 KMT2A (0.62) KMT2APKMPOLBL3MBTL1PTPN1
SCHEMBL27813691 0.86 KMT2A (0.59) KMT2APKMPOLBL3MBTL1PTPN1
SCHEMBL23080115 0.82 CYP2C19 (0.62) KMT2APKMPOLBL3MBTL1PTPN1
SCHEMBL12897248 0.82 KMT2A (0.55) KMT2APKMPOLBL3MBTL1PTPN1
SCHEMBL3082332 0.79 POLB (0.56) KMT2APKMPOLBL3MBTL1PTPN1
SCHEMBL8023364 0.79 KMT2A (0.52) KMT2APKMPOLBL3MBTL1PTPN1
SCHEMBL11854703 0.78 MIF (0.56) KMT2APKMPOLBL3MBTL1PTPN1
SCHEMBL12463285 0.78 MIF (0.56) KMT2APKMPOLBL3MBTL1PTPN1
SCHEMBL5720999 0.78 MIF (0.56) KMT2APKMPOLBL3MBTL1PTPN1
SCHEMBL3869074 0.78 MIF (0.56) KMT2APKMPOLBL3MBTL1PTPN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US disclosed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 US disclosed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US 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-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR KMT2A 1997/4885PKM 1797/4885POLB 2045/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES KMT2A 3616/4885PKM 2057/4885POLB 2899/4885

“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.