SCHEMBL4298644

SCHEMBL4298644

OC(O)Cc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.50
PNMT P11086 1/20 0.50
PKM P14618 1/20 0.47
TAAR1 Q96RJ0 6/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL9480324 0.86 IDO1 (0.50) IDO1PNMTPKMTAAR1LMNA
SCHEMBL14002931 0.84 IDO1 (0.48) IDO1PNMTPKMTAAR1LMNA
SCHEMBL16534760 0.82 SLC6A2 (0.50) IDO1PNMTPKMTAAR1LMNA
SCHEMBL2423546 0.82 SLC6A2 (0.50) IDO1PNMTPKMTAAR1LMNA
SCHEMBL29679143 0.82 SLC6A2 (0.50) IDO1PNMTPKMTAAR1LMNA
SCHEMBL14520626 0.82 SLC6A2 (0.50) IDO1PNMTPKMTAAR1LMNA
SCHEMBL3058311 0.82 PNMT (0.52) IDO1PNMTPKMTAAR1LMNA
SCHEMBL28476371 0.82 HSPA5 (0.39) PKMTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL249276 0.80 IDO1 (0.45) IDO1PNMTPKMTAAR1LMNA
SCHEMBL29786842 0.80 IDO1 (0.45) IDO1PNMTPKMTAAR1LMNA

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 IDO1 664/4885PNMT 416/4885PKM 4176/4885
US-20070281339-A1 Methods For Obtaining Optically Active Epoxides and Vicinal Diols From Styrene Oxides DERA, ERG28, EPHX2 IDO1 1534/4885PNMT 982/4885PKM 3471/4885

“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.