SCHEMBL20109172

SCHEMBL20109172

C=C(C(Cc1ccc(C)cc1)C(=O)OCC)P1(=O)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PKM P14618 2/20 0.34
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX12 P18054 1/20 0.33
STAT3 P40763 1/20 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
SCHEMBL20113453 0.91 EPHX2 (0.41) MMP8MEN1KMT2AALDH1A1TP53
SCHEMBL20113625 0.90 PPARG (0.41) MMP8MEN1KMT2AALDH1A1TP53
SCHEMBL20113526 0.90 MMP8 (0.53) MMP8MEN1KMT2AALDH1A1TP53
SCHEMBL20113627 0.87 PPARG (0.44) MMP8MEN1KMT2AALDH1A1MAPT
SCHEMBL20113397 0.82 ALDH1A1 (0.39) MMP8ALDH1A1TP53MAPTHPGD
SCHEMBL20109174 0.82 ALDH1A1 (0.34) MMP8MEN1KMT2AALDH1A1TP53
SCHEMBL20109200 0.80 MMP8 (0.41) MMP8MEN1KMT2AALDH1A1TP53
SCHEMBL6711568 0.78 MMP8 (0.57) MMP8MEN1KMT2AALDH1A1TP53
SCHEMBL20109175 0.77 KMT2A (0.48) MMP8MEN1KMT2AALDH1A1MAPT
SCHEMBL20113537 0.75 ALDH1A1 (0.32) KMT2AALDH1A1MAPTHPGDCYP1A2

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 4444/4885MEN1 469/4885KMT2A 2508/4885

“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.