SCHEMBL6730801

SCHEMBL6730801

O=C(O)C(O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
KIF11 P52732 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
SRC P12931 1/20 0.39
MAPT P10636 1/20 0.39
KCNN4 O15554 2/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL27904861 1.00 LMNA (0.43) LMNAMAPK1CYP1A2CYP2D6ALDH1A1
SCHEMBL27713868 0.79 LMNA (0.44) LMNAMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL7019907 0.78 MAPT (0.45) LMNAMAPK1CYP1A2CYP2D6ALDH1A1
SCHEMBL28177269 0.78 CYP1A2 (0.43) LMNAMAPK1CYP1A2CYP2D6ALDH1A1
SCHEMBL6874329 0.78 MAPT (0.45) LMNAMAPK1CYP1A2CYP2D6ALDH1A1
SCHEMBL17093302 0.78 MAPT (0.45) LMNAMAPK1CYP1A2CYP2D6ALDH1A1
SCHEMBL16021883 0.76 MAPT (0.47) LMNAMAPK1CYP1A2CYP2D6ALDH1A1
SCHEMBL4652167 0.76 PTPN1 (0.43) LMNAMAPK1CYP1A2CYP2D6ALDH1A1
SCHEMBL6544643 0.76 MAPT (0.47) LMNAMAPK1CYP1A2CYP2D6ALDH1A1
SCHEMBL7197406 0.76 MAPT (0.47) LMNAMAPK1CYP1A2CYP2D6ALDH1A1

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
CN-103086877-B A kind of method for splitting of 2 hydracrylic acid class racemoid 浙江华海药业股份有限公司 2017-08-25 CN claimed
CN-103086877-A Splitting method of 2-hydracrylic acid racemic mixture ZHEJIANG HUAHAI PHARM CO LTD 2013-05-08 CN claimed
CN-103086877-B A kind of method for splitting of 2 hydracrylic acid class racemoid 浙江华海药业股份有限公司 2017-08-25 CN disclosed
CN-103086877-A Splitting method of 2-hydracrylic acid racemic mixture ZHEJIANG HUAHAI PHARM CO LTD 2013-05-08 CN disclosed
US-6677465-B2 DIHYDROXYLATION OF 3-PHENYL CINNAMATE BY OSMIUM (VIII) OXIDE CATALYSIS IN PRESENCE OF SHARPLESS LIGAND AND OXIDIZING AGENT, SELECTIVE CONVERSION OF HYDROXY IN 2 POSITION TO LEAVING GROUP, INTRAMOLECULAR SUBSTITUTION TO FORM GLYCIDE ESTER ABBOTT GMBH & CO. KG (DE) 2004-01-13 US disclosed
US-20030162982-A1 Method for the enantioselective preparation of 3,3-diphenyl-2,3-epoxy propionic acid esters ROYALTY PHARMA COLLECTION TRUST 2003-08-28 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 (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-20030162982-A1 Method for the enantioselective preparation of 3,3-diphenyl-2,3-epoxy propionic acid esters ALDH3A1, HAO2, ERGIC1 LMNA 2262/4885MAPK1 2522/4885CYP1A2 170/4885

“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.