SCHEMBL4620115

SCHEMBL4620115

OC[C@@H](O)COCc1ccco1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.62
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 4/20 0.53
POLB P06746 3/20 0.51
HSD17B10 Q99714 2/20 0.51
RECQL P46063 1/20 0.51
ESR2 Q92731 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 4/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALOX12 P18054 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2248903 1.00 CYP2D6 (0.62) CYP2D6ALDH1A1KDM4ELMNAHTT
SCHEMBL4620854 1.00 CYP2D6 (0.62) CYP2D6ALDH1A1KDM4ELMNAHTT
Glycerin SCHEMBL28275650 0.89 CYP2D6 (0.54) CYP2D6ALDH1A1KDM4ELMNAHTT
SCHEMBL28760233 0.86 CYP2D6 (0.48) CYP2D6ALDH1A1KDM4ELMNAHTT
SCHEMBL14031124 0.85 CYP2D6 (0.65) CYP2D6ALDH1A1KDM4ELMNAHTT
SCHEMBL28400548 0.82 CYP2D6 (0.51) CYP2D6ALDH1A1KDM4ELMNAHTT
SCHEMBL27885968 0.81 CYP2D6 (0.56) CYP2D6ALDH1A1KDM4ELMNAHTT
SCHEMBL6423324 0.81 CYP2D6 (0.60) CYP2D6ALDH1A1KDM4ELMNAHTT
SCHEMBL1759589 0.81 CYP2D6 (0.56) CYP2D6ALDH1A1KDM4ELMNAHTT
SCHEMBL28470747 0.81 CYP2D6 (0.56) CYP2D6ALDH1A1KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213833-A1 Methods for Obtaining Optically Active Glycidyl Ethers and Optically Active Vicinal Diols from Racemic Substrates OXRANE (UK) LTD. (GB) 2008-09-04 US disclosed
EP-1885849-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE GLYCIDYL ETHERS AND OPTICALLY ACTIVE VICINAL DIOLS FROM RACEMIC SUBSTRATES Oxyrane UK Limited (GB) 2008-02-13 EP disclosed
WO-2006109198-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE GLYCIDYL ETHERS AND OPTICALLY ACTIVE VICINAL DIOLS FROM RACEMIC SUBSTRATES OXYRANE UK LIMITED (GB) 2006-10-19 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-20080213833-A1 Methods for Obtaining Optically Active Glycidyl Ethers and Optically Active Vicinal Diols from Racemic Substrates GALE, DERA, GNE CYP2D6 1303/4885ALDH1A1 663/4885KDM4E 1883/4885

“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.