SCHEMBL25909326

SCHEMBL25909326

CCOC(=O)CCCOc1ccc(OCCCC(=O)OCC)c(C#N)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
BRD4 O60885 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TNF P01375 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL2774427 0.80 PDE4A (0.41) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL6328916 0.79 MAPT (0.55) BRD4ALDH1A1CYSLTR2CYSLTR1MAPT
SCHEMBL7580544 0.78 CYP4F2 (0.54) MEN1KMT2ATDP1CYP1A2CYP4F2
SCHEMBL2135611 0.77 NLRP3 (0.43) BRD4TDP1CYP4F2CYP4A11L3MBTL1
SCHEMBL7574892 0.76 ALDH1A1 (0.43) BRD4TDP1CYP1A2CYP4F2CYP4A11
SCHEMBL1285386 0.75 MMP2 (0.61) BRD4ALDH1A1CYSLTR2CYSLTR1MAPT
SCHEMBL1285929 0.75 MMP2 (0.61) BRD4ALDH1A1CYSLTR2CYSLTR1MAPT
SCHEMBL29213722 0.75 TDP1 (0.64) MEN1KMT2ATDP1CYP1A2ALDH1A1
SCHEMBL7301892 0.75 MMP3 (0.57) BRD4ALDH1A1CYSLTR2CYSLTR1MAPT
4-Cyanophenol SCHEMBL8993981 0.74 CYSLTR2 (0.51) BRD4ALDH1A1CYSLTR2CYSLTR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242554-A1 PHOTOSENSITIZING DYE THE UNIVERSITY OF TOKYO (JP) 2023-08-03 US disclosed
US-20230242554-A1 PHOTOSENSITIZING DYE THE UNIVERSITY OF TOKYO (JP) 2023-08-03 US 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-20230242554-A1 PHOTOSENSITIZING DYE IK, SLC7A1, BTD MEN1 1394/4885KMT2A 2431/4885PDE4A 4885/4885

“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.