SCHEMBL6179722

SCHEMBL6179722

C=CC(CC(=O)O)Cc1ccccc1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.34
PPARA Q07869 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 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
SCHEMBL9843615 0.72 ADRA2C (0.52) ALDH1A1THRB
SCHEMBL10600082 0.70 CPA3 (0.55)
SCHEMBL31281851 0.70 SLC6A2 (0.38) HTTL3MBTL1HPGDALDH1A1
SCHEMBL18396472 0.70 SLC6A2 (0.38) HTTL3MBTL1HPGDALDH1A1
SCHEMBL26637586 0.68 ADRA2A (0.35) ALDH1A1
SCHEMBL21464159 0.68 ADRA2A (0.31) HTTL3MBTL1HPGDNPSR1ALDH1A1
SCHEMBL31282278 0.68 ADRA2C (0.37) ALDH1A1
SCHEMBL18396491 0.68 ADRA2C (0.37) ALDH1A1
SCHEMBL6178459 0.68 TAAR1 (0.37) ALDH1A1
SCHEMBL6178632 0.67 POLB (0.41) HTTHPGDPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR PPARD 2065/4885PPARA 2296/4885HTT 4663/4885

“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.