SCHEMBL4294497

SCHEMBL4294497

CC(O)(O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
TSHR P16473 1/20 0.44
SCN5A Q14524 3/20 0.44
SCN9A Q15858 3/20 0.44
PGR P06401 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM3 P20309 1/20 0.42
HSD11B1 P28845 1/20 0.41
KIF11 P52732 3/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 2/20 0.39
KCNH2 Q12809 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC6A2 P23975 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1155523 0.86 CYP19A1 (0.50) CYP19A1TSHRSCN5ASCN9APGR
SCHEMBL7784232 0.84 CYP19A1 (0.49) CYP19A1TSHRSCN5ASCN9APGR
SCHEMBL29091905 0.83 CYP19A1 (0.47) CYP19A1TSHRSCN5ASCN9APGR
SCHEMBL29091896 0.83 CYP19A1 (0.47) CYP19A1TSHRSCN5ASCN9APGR
SCHEMBL29092711 0.83 CYP19A1 (0.47) CYP19A1TSHRSCN5ASCN9APGR
Metaglycodol SCHEMBL2108213 0.83 CYP19A1 (0.47) CYP19A1TSHRSCN5ASCN9APGR
SCHEMBL6074031 0.83 CYP19A1 (0.47) CYP19A1TSHRSCN5ASCN9APGR
Methyl Alcohol SCHEMBL27512784 0.82 HDAC4 (0.48) CYP19A1TSHRSCN5ASCN9APGR
SCHEMBL8137247 0.81 ESR1 (0.50) CYP19A1TSHRSCN5ASCN9APGR
SCHEMBL11300726 0.81 CYP19A1 (0.53) CYP19A1TSHRSCN5ASCN9AMEN1

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 CYP19A1 772/4885TSHR 4879/4885SCN5A 4278/4885
US-20070281339-A1 Methods For Obtaining Optically Active Epoxides and Vicinal Diols From Styrene Oxides DERA, ERG28, EPHX2 CYP19A1 597/4885TSHR 4867/4885SCN5A 4183/4885

“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.