SCHEMBL19316655

SCHEMBL19316655

C=C(C)C(=O)OCC(O)COC(=O)c1ccc(-c2ccc(C(=O)OCC(O)COC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.47
ADRB1 P08588 16/20 0.47
ADRB3 P13945 16/20 0.47
TSHR P16473 1/20 0.46
SLC1A5 Q15758 1/20 0.46
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10875780 0.95 ADRB2 (0.50) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL19316653 0.94 MAPT (0.50) ADRB2ADRB1ADRB3TSHRSLC1A5
SCHEMBL13002778 0.90 ADRB2 (0.59) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL10706533 0.90 MAPT (0.54) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL9792359 0.90 ADRB2 (0.59) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL19316643 0.89 PTPN1 (0.42) ADRB2ADRB1ADRB3TSHRSLC1A5
SCHEMBL23601564 0.88 ADRB2 (0.45) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL21422410 0.88 ADRB2 (0.49) ADRB2ADRB1ADRB3TSHR
SCHEMBL24845121 0.88 ADRB2 (0.49) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL12126370 0.88 ADRB2 (0.58) ADRB2ADRB1ADRB3TSHRALDH1A1

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.