SCHEMBL6397882

SCHEMBL6397882

CC(CCc1cc(O)ccc1P(=O)(O)O)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
ESR2 Q92731 4/20 0.39
TYR P14679 2/20 0.39
MIF P14174 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
EGFR P00533 1/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
F2 P00734 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 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
SCHEMBL6396747 0.89 TYR (0.42) ESR1ESR2TYRMIFPDCD1
SCHEMBL6394487 0.88 ADRB1 (0.37) ESR1ESR2TYRMIFEGFR
SCHEMBL6399237 0.85 ESR1 (0.49) ESR1ESR2MIFPDCD1CD274
SCHEMBL6401534 0.80 HTR2A (0.39) ESR1ESR2TYREGFRF2
SCHEMBL6397878 0.80 ESR1 (0.36) ESR1ESR2TYRMIFPDCD1
SCHEMBL6395045 0.78 ESR1 (0.37) ESR1ESR2TYRMIFPDCD1
SCHEMBL6396741 0.77 TYR (0.39) ESR1ESR2TYRMIFPDCD1
SCHEMBL6396578 0.77 F2 (0.41) ESR1ESR2TYRF2
SCHEMBL6403628 0.77 TYR (0.39) ESR1ESR2TYRMIFLMNA
SCHEMBL6401987 0.77 ESR1 (0.49) ESR1ESR2TYRMIFPDCD1

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 2885/4885ESR2 2416/4885TYR 3689/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 ESR1 2885/4885ESR2 2416/4885TYR 3689/4885

“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.