SCHEMBL6276435

SCHEMBL6276435

O=C(C[C@H](O)C(=O)O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
KMO O15229 1/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
GSK3B P49841 2/20 0.50
NPC1 O15118 1/20 0.50
TRPA1 O75762 1/20 0.50
HIF1A Q16665 1/20 0.50
PTPN1 P18031 1/20 0.50

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
SCHEMBL4967701 1.00 TSHR (0.67) TSHRKMOKMT2AMEN1MAPT
SCHEMBL8076205 1.00 TSHR (0.67) TSHRKMOKMT2AMEN1MAPT
SCHEMBL5313340 0.82 TSHR (0.72) TSHRKMT2AMEN1MAPTMAPK1
SCHEMBL1606582 0.82 TSHR (0.65) TSHRKMT2AMEN1MAPTMAPK1
SCHEMBL14889161 0.82 KMO (0.67) KMOKMT2AMAPTGSK3BL3MBTL1
SCHEMBL9420250 0.82 KMO (0.57) TSHRKMOMAPTSMN1; SMN2KDM4E
SCHEMBL8223279 0.82 KMO (0.57) TSHRKMOKMT2AMEN1KDM4E
SCHEMBL10782076 0.82 ALDH1A1 (0.58) TSHRKMOKMT2AMEN1MAPT
SCHEMBL1548812 0.82 KMO (0.67) KMOKMT2AMAPTGSK3BL3MBTL1
SCHEMBL728409 0.81 KMO (0.66) TSHRKMOKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686275-A LACTATE DEHYDROGENASE GENZYME LTD. (GB) 1997-11-11 US claimed
EP-2586769-B1 METHOD FOR PRODUCING (1R, 2S)-1-AMINO-2-VINYL CYCLOPROPANE CARBOXYLIC ACID ESTER THAT HAS IMPROVED OPTICAL PURITY KANEKA CORP (JP) 2019-01-16 EP disclosed
CN-102906064-B The manufacture method of (1R, 2S)-1-amino-2-vinylcyclopropanecaracidlic acidlic ester that optical purity has been improved KANEKA CORP. (JP) 2015-07-29 CN disclosed
EP-2586769-A1 METHOD FOR PRODUCING (1R, 2S)-1-AMINO-2-VINYL CYCLOPROPANE CARBOXYLIC ACID ESTER THAT HAS IMPROVED OPTICAL PURITY KANEKA CORPORATION (JP) 2013-05-01 EP disclosed
CN-102906064-A Method for producing (1r, 2s)-1-amino-2-vinyl cyclopropane carboxylic acid ester that has improved optical purity KANEKA CORP 2013-01-30 CN disclosed
EP-1354883-B1 Hydrogenation of prochiral ketones SOLVIAS AG (CH) 2005-12-28 EP disclosed
US-6794532-B2 ENANTIOSELECTIVELY HYDROGENATING PROCHIRALEN KETONES TO (S)-ALCOHOLS USING PLATINUM CATALYSTS IN PRESENCE OF CINCHONINES OR QUINIDINES AS MODIFIERS, WHEREIN MODIFIERS USED ARE CINCHONINES UNSUBSTITUTED IN 3-POSITION SOLVIAS AG (CH) 2004-09-21 US disclosed
US-20030204112-A1 Hydrogenation of prochiral ketones SOLVIAS AG (CH) 2003-10-30 US disclosed
EP-1354883-A1 Hydrogenation of prochiral ketones Solvias AG (CH) 2003-10-22 EP disclosed
EP-0620857-B1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LTD (GB) 2000-08-02 EP disclosed
US-5686275-A LACTATE DEHYDROGENASE GENZYME LTD. (GB) 1997-11-11 US disclosed
EP-0620857-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS Genzyme Limited (GB) 1994-10-26 EP disclosed
WO-1993013215-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LIMITED (GB) 1993-07-08 WO 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-20030204112-A1 Hydrogenation of prochiral ketones HRH1, HPD, PDK3 TSHR 3150/4885KMO 197/4885KMT2A 1489/4885

“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.