SCHEMBL6205426

SCHEMBL6205426

COC(OC)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
ACHE P22303 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
NFE2L2 Q16236 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL8955219 0.86 CA12 (0.35) AOC3SLC6A4ALDH1A1CYP1A2CYP2D6
SCHEMBL17789906 0.81 SLC6A4 (0.42) AOC3IDO1TDO2SLC6A2SLC6A4
SCHEMBL792136 0.79 IDO1 (0.58) AOC3IDO1TDO2ACHESLC6A2
SCHEMBL15350067 0.78 TSHR (0.34) ALDH1A1TSHR
SCHEMBL21162070 0.78 TSHR (0.34) ALDH1A1TSHR
SCHEMBL12784519 0.77 AOC3 (0.46) AOC3IDO1TDO2ACHESLC6A2
SCHEMBL13929388 0.77 AOC3 (0.46) AOC3IDO1TDO2ACHESLC6A2
SCHEMBL250661 0.76 IDO1 (0.43) IDO1NFE2L2ALDH1A1HTTHDAC4
SCHEMBL2431139 0.76 ACHE (0.44) ACHEALDH1A1MAPT
SCHEMBL6206391 0.75 AOC3 (0.44) AOC3IDO1TDO2ACHESLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323705-A1 MANUFACTURE OF LACTO-N-TETRAOSE GLYCOM A/S (DK) 2014-10-30 US disclosed
CN-104024239-A BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS HOFFMANN LA ROCHE 2014-09-03 CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
EP-0393668-B1 Method of preparation of benzaldehyde dialkyl acetals and new benzaldehyde dialkyl acetals BASF AG (DE) 1994-02-02 EP disclosed
EP-0393667-B1 PROCESS FOR THE PRODUCTION OF BENZYL METHYL ESTERS BASF Aktiengesellschaft (DE) 1993-06-23 EP disclosed
US-5078838-A By electrochemical anodic oxidation of benzyl derivatives in the presence of an aliphatic alcohol BASF AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
EP-0393668-A2 Method of preparation of benzaldehyde dialkyl acetals and new benzaldehyde dialkyl acetals BASF Aktiengesellschaft (DE) 1990-10-24 EP disclosed
EP-0393667-A1 Process for the production of benzyl methyl esters BASF Aktiengesellschaft (DE) 1990-10-24 EP 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 (1 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-20140323705-A1 MANUFACTURE OF LACTO-N-TETRAOSE FUT6, FUT5, ST6GAL1 AOC3 2722/4885IDO1 1801/4885TDO2 376/4885

“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.