SCHEMBL4296907

SCHEMBL4296907

Oc1ccc(C2CO2)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.62
PTPN1 P18031 1/20 0.62
QDPR P09417 3/20 0.48
POLB P06746 3/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALPI P09923 2/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 2/20 0.47
PTGS2 P35354 2/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
ATM Q13315 1/20 0.47
YWHAG P61981 1/20 0.47
CYP19A1 P11511 2/20 0.45
CA12 O43570 1/20 0.45
SLCO2B1 O94956 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CA4 P22748 1/20 0.45

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
SCHEMBL14048659 0.81 TP53 (0.45) ALOX5PTPN1TP53CYP3A4TSHR
SCHEMBL4434740 0.81 DRD3 (0.51) ALOX5PTPN1GAAKDM4EMAPT
SCHEMBL30859113 0.79 DRD2 (0.54) ALOX5PTPN1QDPRPOLBGAA
SCHEMBL29353399 0.77 ALOX5 (1.00) ALOX5PTPN1MAPTPTGS2MCL1
SCHEMBL3213886 0.77 ALOX5 (1.00) ALOX5PTPN1MAPTPTGS2MCL1
SCHEMBL29358578 0.77 ALOX5 (1.00) ALOX5PTPN1MAPTPTGS2MCL1
SCHEMBL13317169 0.77 PPARD (0.71) ALOX5PTPN1QDPRPOLBCYP1A1
SCHEMBL30754397 0.77 PPARD (0.71) ALOX5PTPN1QDPRPOLBCYP1A1
SCHEMBL13074805 0.77 PARP1 (0.40) ALOX5PTPN1QDPRPOLBGAA
SCHEMBL13952223 0.77 ALDH1A1 (0.50) ALOX5PTPN1POLBGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045419-A1 REVERSIBLY CROSSLINKED MICELLE SYSTEMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-12 US disclosed
WO-2009147476-A1 NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-12-10 WO disclosed
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 (3 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-20150045419-A1 REVERSIBLY CROSSLINKED MICELLE SYSTEMS CETP, NR1H4, ABCB4 ALOX5 2936/4885PTPN1 1604/4885QDPR 4436/4885
US-20090275077-A1 Methods of Obtaining Optically Active Epoxides and Vicinal Diols from Styrene Oxides EPHX2, EPHX1, DERA ALOX5 230/4885PTPN1 4641/4885QDPR 528/4885
US-20070281339-A1 Methods For Obtaining Optically Active Epoxides and Vicinal Diols From Styrene Oxides DERA, ERG28, EPHX2 ALOX5 177/4885PTPN1 4785/4885QDPR 361/4885

“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.