SCHEMBL6401672

SCHEMBL6401672

O=P(O)(O)c1cc(O)ccc1C(O)Cc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
SLC7A5 Q01650 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
SLC6A2 P23975 2/20 0.37
ADRB2 P07550 7/20 0.36
CYP3A4 P08684 3/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRB1 P08588 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADRB3 P13945 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
MC4R P32245 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
SCHEMBL6402680 0.87 SLC7A5 (0.38) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL6394675 0.86 ENPP2 (0.39) TAAR1CYP3A4MAPK1
SCHEMBL6401427 0.86 ADRB2 (0.38) ESR1ESR2ADRB2
SCHEMBL6398864 0.85 IGF1R (0.38) ESR1ESR2SLC6A2ADRB2CYP3A4
SCHEMBL6397823 0.78 ADRB2 (0.38) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL6401108 0.78 ESR1 (0.38) ESR1ESR2TAAR1SLC6A2ADRB2
SCHEMBL6402694 0.77 INPPL1 (0.39) ESR1ESR2SLC7A5TAAR1
SCHEMBL6401665 0.77 ESR1 (0.38) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL6401616 0.77 ANPEP (0.43) TAAR1ADRB2ADRB1OPRM1
SCHEMBL6403048 0.76 MGLL (0.41) TAAR1ADRB2ADRB1OPRM1

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 2416/4885SLC7A5 83/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 ESR1 2885/4885ESR2 2416/4885SLC7A5 83/4885

“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.