SCHEMBL6709710

SCHEMBL6709710

COCOc1ccc(I)nc1I

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.36
BACE1 P56817 1/20 0.31
XDH P47989 1/20 0.31

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
SCHEMBL12036727 0.83 AAK1 (0.41) S1PR4XDH
SCHEMBL12037052 0.83 S1PR4 (0.53) S1PR4
SCHEMBL28555443 0.81 S1PR4 (0.41) S1PR4BACE1XDH
SCHEMBL16741129 0.81 KMT2A (0.33) BACE1XDH
SCHEMBL8756155 0.81 S1PR4 (0.40) S1PR4XDH
SCHEMBL23904774 0.81 S1PR4 (0.35) S1PR4XDH
SCHEMBL16237931 0.81 S1PR4 (0.35) S1PR4BACE1XDH
SCHEMBL8761798 0.79 AAK1 (0.32)
SCHEMBL28511868 0.77 NQO2 (0.40)
SCHEMBL8758820 0.76 SYK (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248913-A1 (Pyridinyl and pyrimidyl) trienoic acid derivatives as retinoid x receptor modulators LIGAND PHARMACEUTICALS, INC. 2004-12-09 US disclosed
EP-1414450-A1 (PYRIDINYL AND PYRIMIDYL)TRIENOIC ACID DERIVATIVES AS RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-05-06 EP disclosed
WO-2003007950-A1 (PYRIDINYL AND PYRIMIDYL) TRIENOIC ACID DERIVATIVES AS RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-01-30 WO 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 (1 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-20040248913-A1 (Pyridinyl and pyrimidyl) trienoic acid derivatives as retinoid x receptor modulators TSHR, THRA, RXRA S1PR4 415/4885BACE1 4385/4885XDH 350/4885

“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.