SCHEMBL20109170

SCHEMBL20109170

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TRPA1 O75762 1/20 0.32
ALOX15 P16050 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 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
SCHEMBL20113396 0.84 ALDH1A1 (0.33) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20113542 0.80 ALDH1A1 (0.36) GAAALDH1A1CYP3A4CYP2C19HSD17B10
SCHEMBL20109194 0.76 ALDH1A1 (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9077890 0.71 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20113524 0.69 MGAM (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13643227 0.68 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1245716 0.68 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17792657 0.68 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20113541 0.68 GAA (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11366021 0.67 MGAM (0.48) 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 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 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.