SCHEMBL20109285

SCHEMBL20109285

C=C(CC(=O)OCC)P1(=O)OCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ALDH1A1 P00352 6/20 0.35
CYP1A2 P05177 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 1/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL20113541 0.79 GAA (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20113523 0.79 GAA (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20113536 0.76 MGAM (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20113542 0.75 ALDH1A1 (0.36) GAAALDH1A1CYP1A2HPGDMAPT
SCHEMBL20109178 0.73
SCHEMBL20113396 0.73 ALDH1A1 (0.33) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20113524 0.73 MGAM (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20113736 0.72 GAA (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20109169 0.72 KDM4E (0.32) KDM4E
SCHEMBL20113454 0.72 MGAM (0.39) GAAMGAMSIMGAM2ALDH1A1

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 GAA 4181/4885MGAM 4128/4885SI 2996/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 GAA 4181/4885MGAM 4128/4885SI 2996/4885

“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.