SCHEMBL6396124

SCHEMBL6396124

CCC(c1ccc(O)cc1)C(O)c1c(O)cccc1SP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43

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
SCHEMBL6401536 0.88 SLC22A1 (0.41) LMNADRD1ADRA1AOPRM1DRD3
SCHEMBL6404158 0.85 ESR1 (0.43) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL6395641 0.84 ESR1 (0.32) ESR1ESR2
SCHEMBL6396127 0.81 ESR1 (0.46) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL6402761 0.79 ESR1 (0.44) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL6402717 0.78 ESR1 (0.34) ESR1CYP2C9TDP1ESR2HIF1A
SCHEMBL6403258 0.78 SLC22A1 (0.41) LMNADRD1ADRA1AOPRM1DRD3
SCHEMBL6398694 0.78 ESR1 (0.45) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL6394496 0.78 ESR1 (0.45) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL6396417 0.76 TAAR1 (0.36) ESR1SLC6A2ESR2

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 5 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-6787528-B2 THERAPY FOR KIDNEY DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-09-07 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
US-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation PEERCE BRIAN E (US) 2002-09-19 US disclosed
US-6355823-B1 MEMBRANE SUBSTRATE PHOSPHATED FOR DRUGS FOR GASTROINTESTINAL DISORDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-03-12 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 (3 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 2885/4885LMNA 4647/4885CYP1A2 1790/4885
US-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation SLC10A2, SLC34A3, SLC34A1 ESR1 3212/4885LMNA 4664/4885CYP1A2 2148/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 ESR1 2885/4885LMNA 4647/4885CYP1A2 1790/4885

“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.