SCHEMBL5595272

SCHEMBL5595272

C=C(COCCOCCOCCOP(=O)(O)O)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
LPAR3 Q9UBY5 8/20 0.36
LPAR2 Q9HBW0 6/20 0.36
LPAR1 Q92633 4/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL1831246 1.00 THRB (0.38) THRBLPAR3LPAR2LPAR1TSHR
SCHEMBL1831267 0.98 THRB (0.39) THRBLPAR3LPAR2LPAR1TSHR
SCHEMBL6474037 0.91 THRB (0.38) THRBTSHRALDH1A1CYP3A4CYP2D6
SCHEMBL5595161 0.89 LPAR3 (0.42) THRBLPAR3LPAR2LPAR1TSHR
SCHEMBL9906105 0.89 THRB (0.39) THRBTSHRALDH1A1CYP3A4CYP2D6
SCHEMBL1831610 0.88 LPAR3 (0.49) LPAR3LPAR2LPAR1TSHR
Phosphoric Acid SCHEMBL5595983 0.87 THRB (0.47) THRBTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL12297123 0.87 THRB (0.47) THRBTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL23894805 0.85 THRB (0.48) THRBTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL12394924 0.84 TPI1 (0.35) LPAR3LPAR2LPAR1TSHRALDH1A1

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-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition DENTSPLY DE TREY GMBH (DE) 2007-12-20 US disclosed
WO-2005063778-A1 ONE-PART SELF-ETCHING, SELF-PRIMING DENTAL ADHESIVE COMPOSITION DENTSPLY DETREY GMBH (DE) 2005-07-14 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-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition CAD, ASIC1, PDAP1 THRB 3469/4885LPAR3 2740/4885LPAR2 2008/4885

“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.