SCHEMBL20109174

SCHEMBL20109174

C=C(C(Cc1cc(C)cc(OC)c1)C(=O)OCC)P1(=O)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
MAPK1 P28482 3/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.32
MMP8 P22894 1/20 0.32
LDHA P00338 1/20 0.32
KMT2A Q03164 3/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
TACR1 P25103 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20113397 0.94 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPK1TSHRTDP1
SCHEMBL20109198 0.83 L3MBTL1 (0.34) ALDH1A1L3MBTL1MAPK1TSHRTDP1
SCHEMBL20109172 0.82 MMP8 (0.41) ALDH1A1L3MBTL1MAPK1TDP1TP53
SCHEMBL20113526 0.79 MMP8 (0.53) ALDH1A1L3MBTL1TDP1TP53MMP8
SCHEMBL20113453 0.78 EPHX2 (0.41) ALDH1A1TP53MMP8KMT2AHPGD
SCHEMBL20113625 0.77 PPARG (0.41) ALDH1A1MAPK1TP53MMP8KMT2A
SCHEMBL20109148 0.77 MMP8 (0.37) ALDH1A1L3MBTL1MAPK1TSHRTDP1
SCHEMBL20113732 0.76 L3MBTL1 (0.39) ALDH1A1L3MBTL1MAPK1TSHRTDP1
SCHEMBL20113627 0.75 PPARG (0.44) ALDH1A1MMP8KMT2AMEN1MAPT
SCHEMBL20109245 0.74 MMP8 (0.36) ALDH1A1L3MBTL1MAPK1TSHRTDP1

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 ALDH1A1 4621/4885L3MBTL1 3799/4885MAPK1 2698/4885

“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.