SCHEMBL6402440

SCHEMBL6402440

CCC(Cc1cc(O)ccc1SP(=O)(O)O)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.48
ESR2 Q92731 9/20 0.48
CYP2C9 P11712 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
ALOX15 P16050 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 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
SCHEMBL6395009 0.90 ESR1 (0.48) ESR1ESR2CYP2C9LMNACYP1A2
SCHEMBL6395778 0.89 ESR1 (0.35) ESR1ESR2LMNADRD1ADRA1A
SCHEMBL6399216 0.84 ESR1 (0.45) ESR1ESR2CYP2C9LMNACYP1A2
SCHEMBL6402444 0.80 ESR1 (0.51) ESR1ESR2CYP2C9LMNACYP1A2
SCHEMBL6397243 0.80 ESR1 (0.46) ESR1ESR2CYP2C9LMNACYP1A2
SCHEMBL6401540 0.79 ESR1 (0.35) ESR1ESR2LMNADRD1ADRA1A
SCHEMBL6396470 0.77 ESR1 (0.46) ESR1ESR2CYP2C9LMNACYP1A2
SCHEMBL6395016 0.77 ESR1 (0.51) ESR1ESR2CYP2C9LMNACYP1A2
SCHEMBL6397878 0.76 ESR1 (0.36) ESR1ESR2
SCHEMBL6395063 0.76 ESR1 (0.48) ESR1ESR2CYP2C9LMNACYP1A2

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 2416/4885CYP2C9 863/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 ESR1 2885/4885ESR2 2416/4885CYP2C9 863/4885

“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.