SCHEMBL25544199

SCHEMBL25544199

CN1CCCC(P(=O)(O)Nc2ccccc2O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.36
ENO1 P06733 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM5 P41594 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
NAMPT P43490 1/20 0.33
CHRM3 P20309 3/20 0.33
DRD2 P14416 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL25544669 0.77 ENO1 (0.39) ENO1
SCHEMBL25544195 0.75 CHRNB2 (0.41) PIK3CAPRKDCENO1ALDH1A1CHRM3
SCHEMBL20201431 0.72 ENO1 (0.65) ENO1GRM5
SCHEMBL20201424 0.72 ENO1 (0.65) ENO1GRM5
SCHEMBL20201429 0.68 ENO1 (0.58) ENO1GRM5NAMPT
SCHEMBL20201417 0.68 ENO1 (0.58) ENO1GRM5NAMPT
SCHEMBL7547462 0.65 NPC1 (0.48) PIK3CAALDH1A1GAATDP1NPC1
SCHEMBL20201428 0.62 ENO1 (0.62) ENO1
SCHEMBL20201419 0.62 ENO1 (0.62) ENO1
SCHEMBL10935226 0.62 NPC1 (0.46) ALDH1A1GAATDP1NPC1HPGD

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-20230167142-A1 METHODS FOR THE MONO-AMIDATION OF PHOSPHATES AND PHOSPHONATES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-06-01 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-20230167142-A1 METHODS FOR THE MONO-AMIDATION OF PHOSPHATES AND PHOSPHONATES PHPT1, PPIP5K2, PNP PIK3CA 116/4885PRKDC 994/4885ENO1 867/4885

“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.