SCHEMBL6402469

SCHEMBL6402469

CC(c1ccc(O)cc1)C(O)(O)c1cc(O)ccc1SP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
PDCD1 Q15116 1/20 0.33
ESR2 Q92731 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MAPKAPK2 P49137 1/20 0.31
NR1I2 O75469 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
MIF P14174 1/20 0.30
TYR P14679 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6399924 0.90 ADRB1 (0.35) ESR1ESR2MAPKAPK2ALDH1A1LMNA
SCHEMBL6395849 0.89 MAPKAPK2 (0.33) ESR1PDCD1ESR2CD274MAPKAPK2
SCHEMBL6397348 0.84 CYP2C9 (0.37) ESR1ESR2ALDH1A1LMNACYP2C9
SCHEMBL6401191 0.82 ESR1 (0.35) ESR1PDCD1ESR2CD274MIF
SCHEMBL6402302 0.79 ADRB1 (0.35) ESR1ESR2MAPKAPK2ALDH1A1LMNA
SCHEMBL6397895 0.78 ESR1 (0.32) ESR1PDCD1ESR2CD274
SCHEMBL6402472 0.78 ESR1 (0.36) ESR1PDCD1ESR2CD274MAPKAPK2
SCHEMBL6402009 0.76 HSD17B10 (0.35) LMNACYP2C9MIFHSD17B10
SCHEMBL6402566 0.76 ESR1 (0.35) ESR1ESR2
SCHEMBL6401894 0.76 ESR1 (0.32) ESR1PDCD1ESR2CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187195-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans PEERCE BRIAN E (US) 2005-08-25 US disclosed
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-08-28 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-20050187195-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 ESR1 2885/4885PDCD1 2817/4885ESR2 2416/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 ESR1 2885/4885PDCD1 2817/4885ESR2 2416/4885

“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.