SCHEMBL16424698

SCHEMBL16424698

Cc1ncc(COP(=O)(O)O)c(CC=O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX2 Q9UBL9 2/20 0.67
ESR1 P03372 1/20 0.67
PTGS1 P23219 1/20 0.67
ACP1 P24666 1/20 0.67
PDE4A P27815 1/20 0.67
P2RX1 P51575 1/20 0.67
PNPO Q9NVS9 1/20 0.59
SGPL1 O95470 2/20 0.46
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
YWHAG P61981 1/20 0.36
YWHAZ P63104 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
SCHEMBL13176882 0.85 ESR1 (0.64) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL29384180 0.85 ESR1 (0.64) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL43880 0.85 ESR1 (0.64) P2RX2ESR1PTGS1ACP1PDE4A
Water SCHEMBL371432 0.83 ESR1 (0.63) P2RX2ESR1PTGS1ACP1PDE4A
Ammonia Solution, Strong SCHEMBL31241292 0.83 ESR1 (0.63) P2RX2ESR1PTGS1ACP1PDE4A
Pyridoxamine Phosphate Anhydrous SCHEMBL43832 0.83 ESR1 (0.63) P2RX2ESR1PTGS1ACP1PDE4A
Pyridoxamine Phosphate Anhydrous SCHEMBL29619879 0.83 ESR1 (0.63) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL16420385 0.83 ESR1 (0.63) P2RX2ESR1PTGS1ACP1PDE4A
Hydrochloric Acid SCHEMBL14331173 0.83 ESR1 (0.63) P2RX2ESR1PTGS1ACP1PDE4A
Pyridoxamine Phosphate Anhydrous SCHEMBL10942609 0.82 ESR1 (0.61) P2RX2ESR1PTGS1ACP1PDE4A

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-9872925-B2 Vitamin B6-coupled poly(ester amine) as gene carrier and application in cancer gene therapy SNU R&DB FOUNDATION (KR) 2018-01-23 US disclosed
US-20170246309-A1 POLYOL-BASED OSMOTIC POLYDIXYLITOL POLYMER GENE TRANSPORTER AND USE THEREOF SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2017-08-31 US disclosed
US-20150030854-A1 VITAMIN B6-COUPLED POLY(ESTER AMINE) AS GENE CARRIER AND APPLICATION IN CANCER GENE THERAPY SNU R&DB FOUNDATION (KR) 2015-01-29 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-20170246309-A1 POLYOL-BASED OSMOTIC POLYDIXYLITOL POLYMER GENE TRANSPORTER AND USE THEREOF SLC22A3, SLC22A12, SLC22A11 P2RX2 1363/4885ESR1 4564/4885PTGS1 2771/4885
US-20150030854-A1 VITAMIN B6-COUPLED POLY(ESTER AMINE) AS GENE CARRIER AND APPLICATION IN CANCER GENE THERAPY SLC19A2, SLC19A1, VNN1 P2RX2 3889/4885ESR1 1658/4885PTGS1 882/4885

“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.