SCHEMBL5595161

SCHEMBL5595161

C=C(COCCCOP(=O)(O)O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.42
LPAR2 Q9HBW0 6/20 0.42
LPAR1 Q92633 6/20 0.42
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1831610 0.95 LPAR3 (0.49) LPAR3LPAR2LPAR1TSHRLPAR5
SCHEMBL1831267 0.91 THRB (0.39) LPAR3LPAR2LPAR1ALDH1A1TSHR
SCHEMBL5595272 0.89 THRB (0.38) LPAR3LPAR2LPAR1ALDH1A1TSHR
SCHEMBL1831246 0.89 THRB (0.38) LPAR3LPAR2LPAR1ALDH1A1TSHR
SCHEMBL12394927 0.84 LPAR3 (0.41) LPAR3LPAR2LPAR1ALDH1A1LPAR5
SCHEMBL5597304 0.82 LPAR3 (0.47) LPAR3LPAR2LPAR1LPAR5
SCHEMBL14678815 0.82 ALDH1A1 (0.41) LPAR3LPAR2LPAR1ALDH1A1TSHR
SCHEMBL9906105 0.81 THRB (0.39) ALDH1A1TSHRTHRBMAPT
SCHEMBL27477825 0.80 CES2 (0.44) ALDH1A1TSHRTHRBMAPT
SCHEMBL6474037 0.80 THRB (0.38) ALDH1A1TSHRTHRBMAPT

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 7 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-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
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
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition DENTSPLY DE TREY GMBH (DE) 2007-12-20 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 LPAR3 2740/4885LPAR2 2008/4885LPAR1 1057/4885

“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.