SCHEMBL4294493

SCHEMBL4294493

OC(O)Cc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.68
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
TAAR1 Q96RJ0 4/20 0.50
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3A P46098 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
CHRM2 P08172 1/20 0.48
IDO1 P14902 4/20 0.48
CYP3A4 P08684 2/20 0.48
AGXT P21549 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL10651111 0.85 PNMT (0.60) PNMTTSHRRECQLTAAR1HTR3E
SCHEMBL28771460 0.83 PNMT (0.58) PNMTTSHRRECQLTAAR1HTR3E
SCHEMBL29091904 0.83 PNMT (0.58) PNMTTSHRRECQLTAAR1HTR3E
SCHEMBL28771456 0.83 PNMT (0.58) PNMTTSHRRECQLTAAR1HTR3E
SCHEMBL8153800 0.83 PNMT (0.69) PNMTTSHRRECQLTAAR1HTR3E
SCHEMBL2427261 0.83 PNMT (0.69) PNMTTSHRRECQLTAAR1HTR3E
Hydrochloric Acid SCHEMBL7864518 0.82 PNMT (0.67) PNMTTSHRRECQLTAAR1HTR3E
SCHEMBL30615772 0.82 PNMT (0.56) PNMTTSHRRECQLTAAR1HTR3E
SCHEMBL1552426 0.82 PNMT (0.56) PNMTTSHRRECQLTAAR1HTR3E
SCHEMBL25518189 0.82 PNMT (0.56) PNMTTSHRRECQLTAAR1HTR3E

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 PNMT 416/4885TSHR 4879/4885RECQL 556/4885
US-20070281339-A1 Methods For Obtaining Optically Active Epoxides and Vicinal Diols From Styrene Oxides DERA, ERG28, EPHX2 PNMT 982/4885TSHR 4867/4885RECQL 661/4885

“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.