SCHEMBL2331335

SCHEMBL2331335

C#CCCCCCCCCC(=O)OCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.37
GSTP1 P09211 1/20 0.36
DGKA P23743 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PAM P19021 2/20 0.33

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
SCHEMBL6297122 0.85 HTT (0.48) MAPTHSD17B10HTTDGKAALDH1A1
SCHEMBL509013 0.83 HTT (0.50) MAPTCYP1A2HSD17B10HTTDGKA
SCHEMBL5791835 0.79 HTT (0.50) CYP1A2HSD17B10HTTDGKAALDH1A1
SCHEMBL6509263 0.77 DGKA (0.62) MAPTCYP1A2HSD17B10DGKAALDH1A1
SCHEMBL835850 0.77 DGKA (0.62) MAPTCYP1A2HSD17B10DGKAALDH1A1
SCHEMBL2690448 0.77 DGKA (0.62) MAPTCYP1A2HSD17B10DGKAALDH1A1
SCHEMBL21257687 0.77 DGKA (0.62) MAPTCYP1A2HSD17B10DGKAALDH1A1
SCHEMBL13734761 0.77 MAPT (0.53) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21257703 0.77 DGKA (0.62) MAPTCYP1A2HSD17B10DGKAALDH1A1
SCHEMBL21052403 0.77 MAPT (0.53) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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
EP-2356082-B1 PHOTOCHEMICAL MODIFICATION OF SOLID MATERIALS SURFIX BV (NL) 2021-03-17 EP disclosed
WO-2016018148-A1 BIOSENSOR COMPRISING A MODIFIED METAL SURFACE AND METHOD FOR THE MODIFICATION OF A METAL SURFACE BIOMARQUE B.V. (NL) 2016-02-04 WO disclosed
US-8993479-B2 Photochemical modification of solid materials SURFIX BV (NL) 2015-03-31 US disclosed
US-20110251059-A1 PHOTOCHEMICAL MODIFICATION OF SOLID MATERIALS WAGENINGEN UNIVERSITEIT 2011-10-13 US disclosed
EP-2356082-A1 PHOTOCHEMICAL MODIFICATION OF SOLID MATERIALS Wageningen Universiteit (NL) 2011-08-17 EP disclosed
WO-2010044668-A1 PHOTOCHEMICAL MODIFICATION OF SOLID MATERIALS WAGENINGEN UNIVERSITEIT (NL) 2010-04-22 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 (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-20110251059-A1 PHOTOCHEMICAL MODIFICATION OF SOLID MATERIALS SPR, SPIN2B, AS3MT MAPT 4811/4885CYP1A2 291/4885CYP2D6 474/4885

“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.