SCHEMBL4434740

SCHEMBL4434740

Nc1cc(C2CO2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.51
PARP1 P09874 1/20 0.43
ALOX5 P09917 3/20 0.43
PTPN1 P18031 2/20 0.43
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 4/20 0.42
ALOX15 P16050 3/20 0.42
ALOX12 P18054 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.40
GAA P10253 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 2/20 0.38
USP2 O75604 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
SCHEMBL4296907 0.81 ALOX5 (0.62) PARP1ALOX5PTPN1ALDH1A1HSD17B10
SCHEMBL27037276 0.78 ALDH1A1 (0.41) DRD3ALOX5PTPN1ALDH1A1HSD17B10
SCHEMBL242386 0.78 DRD3 (0.47) DRD3ALOX5PTPN1ALDH1A1HSD17B10
SCHEMBL14048659 0.76 TP53 (0.45) PARP1ALOX5PTPN1TSHRPPARG
SCHEMBL3779996 0.76 DRD3 (0.45) DRD3ALOX5PTPN1ALDH1A1HSD17B10
SCHEMBL10536451 0.72 ACMSD (0.56) ALDH1A1HSD17B10ALOX15ALOX12HPGD
SCHEMBL30754397 0.72 PPARD (0.71) ALOX5PTPN1TSHRCA2PPARG
SCHEMBL13317169 0.72 PPARD (0.71) ALOX5PTPN1TSHRCA2PPARG
SCHEMBL13074805 0.72 PARP1 (0.40) PARP1ALOX5PTPN1ALDH1A1HSD17B10
SCHEMBL10062055 0.71 DRD3 (0.59) DRD3PARP1ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275077-A1 Methods of Obtaining Optically Active Epoxides and Vicinal Diols from Styrene Oxides OXYRANE (UK) LIMITED (GB) 2009-11-05 US disclosed
US-20070281339-A1 Methods For Obtaining Optically Active Epoxides and Vicinal Diols From Styrene Oxides OXYRANE UK LIMITED (GB) 2007-12-06 US disclosed
EP-1756281-A2 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM STYRENE EPOXIDES USING ENANTIOSELECTIVE EPOXIDE HYDROLASES DERIVED FROM YEASTS CSIR (ZA) 2007-02-28 EP disclosed
WO-2005100569-A2 METHODS FOR THE PREPARATION OF OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM STYRENE EPOXIDES USING ENANTIOSELECTIVE EPOXIDE HYDROLASES DERIVED FROM YEASTS CSIR (ZA) 2005-10-27 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 (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-20090275077-A1 Methods of Obtaining Optically Active Epoxides and Vicinal Diols from Styrene Oxides EPHX2, EPHX1, DERA DRD3 2305/4885PARP1 1128/4885ALOX5 230/4885
US-20070281339-A1 Methods For Obtaining Optically Active Epoxides and Vicinal Diols From Styrene Oxides DERA, ERG28, EPHX2 DRD3 1687/4885PARP1 870/4885ALOX5 177/4885

“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.