SCHEMBL19316663

SCHEMBL19316663

C=CC(=O)OCC(CO)OC(=O)c1ccc2cc(C(=O)OCC(O)COC(=O)C(=C)C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 10/20 0.41
▸ ADRB1 P08588 10/20 0.41
▸ ADRB3 P13945 10/20 0.41
▸ PTPN1 P18031 3/20 0.40
▸ SERPINE1 P05121 1/20 0.34
▸ PRKCA P17252 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN11 Q06124 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
SCHEMBL19316660 0.86 PTPN1 (0.46) ADRB2ADRB1ADRB3PTPN1SERPINE1
SCHEMBL19316662 0.85 PTPN1 (0.45) ADRB2ADRB1ADRB3PTPN1SERPINE1
SCHEMBL19316658 0.83 ADRB2 (0.54) ADRB2ADRB1ADRB3
SCHEMBL21422411 0.82 ADRB2 (0.41) ADRB2ADRB1ADRB3PTPN1SERPINE1
SCHEMBL19316643 0.82 PTPN1 (0.42) ADRB2ADRB1ADRB3PTPN1SERPINE1
SCHEMBL21422479 0.79 ADRB2 (0.37) ADRB2ADRB1ADRB3PTPN1SERPINE1
SCHEMBL13135914 0.79 ADRB2 (0.62) ADRB2ADRB1ADRB3
SCHEMBL19316648 0.78 ADRB2 (0.36) ADRB2ADRB1ADRB3PTPN1PRKCA
SCHEMBL19316664 0.77 ADRB2 (0.38) ADRB2ADRB1ADRB3PRKCA
SCHEMBL13135915 0.77 ADRB2 (0.60) ADRB2ADRB1ADRB3PTPN1

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-20170253555-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORPORATION (JP) 2017-09-07 — — US disclosed
US-20170253555-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORPORATION (JP) 2017-09-07 — — 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 (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-20170253555-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER H1-0, VMP1, CHRM1 ADRB2 735/4885ADRB1 850/4885ADRB3 2398/4885

“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.

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