SCHEMBL20109173

SCHEMBL20109173

CCOC(=O)CC(=C(c1ccccc1)c1ccccc1)P1(=O)OCCO1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
CYP19A1 P11511 3/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
PPID Q08752 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL20109195 0.79 L3MBTL1 (0.39) ALDH1A1MAPTHPGDL3MBTL1SMN1; SMN2
SCHEMBL20113531 0.76 MEN1 (0.49) ALDH1A1MAPTCYP1A2CYP2C9HPGD
SCHEMBL17595872 0.76 GAA (0.40) ALDH1A1MAPTL3MBTL1SMN1; SMN2CYP19A1
SCHEMBL17595874 0.73 GAA (0.40) ALDH1A1MAPTL3MBTL1SMN1; SMN2CYP19A1
SCHEMBL20109227 0.73 GAA (0.39) ALDH1A1MAPTL3MBTL1SMN1; SMN2CYP19A1
SCHEMBL20109251 0.73 GAA (0.39) ALDH1A1MAPTL3MBTL1SMN1; SMN2CYP19A1
SCHEMBL124577 0.70 KMT2A (0.59) ALDH1A1MAPTCYP1A2CYP2C9HPGD
SCHEMBL20113400 0.69 GAA (0.37) ALDH1A1MAPTCYP1A2CYP2C9HPGD
SCHEMBL20113541 0.69 GAA (0.47) ALDH1A1MAPTCYP1A2CYP2C9HPGD
SCHEMBL17433641 0.69 KMT2A (0.57) ALDH1A1MAPTCYP1A2CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
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
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 (2 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 4621/4885MAPT 4371/4885CYP1A2 3840/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885MAPT 4371/4885CYP1A2 3840/4885

“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.