SCHEMBL20109149

SCHEMBL20109149

C=C(C(Cc1ccc(C)cc1)C(=O)OCC)P1(=O)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
NPY1R P25929 2/20 0.38
NPY2R P49146 2/20 0.38
PKM P14618 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL17596815 0.94 MMP8 (0.50) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL17595853 0.92 MMP8 (0.43) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL17595866 0.92 MMP8 (0.46) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL20109357 0.92 MMP8 (0.43) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL17596788 0.89 MMP8 (0.41) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL20109223 0.88 MMP8 (0.44) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL20109247 0.88 MMP8 (0.44) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL17596771 0.88 MAPT (0.42) MMP8ALDH1A1TP53MEN1KMT2A
SCHEMBL20109272 0.86 GAA (0.40) MMP8ALDH1A1MEN1KMT2ATDP1
SCHEMBL20109340 0.85 MMP8 (0.39) MMP8ALDH1A1TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 MMP8 4444/4885ALDH1A1 4621/4885TP53 1611/4885

“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.