SCHEMBL19316649

SCHEMBL19316649

C=C(C)C(=O)OCC(O)COC(=O)c1ccccc1-c1ccccc1C(=O)OC(CO)COC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ADRB2 P07550 14/20 0.38
▸ ADRB1 P08588 14/20 0.38
▸ ADRB3 P13945 14/20 0.38
▸ PTGS2 P35354 1/20 0.36
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL19316647 0.95 TSHR (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL16193204 0.89 TSHR (0.47) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL19316664 0.88 ADRB2 (0.38) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12019252 0.87 SCN1A (0.47) TSHRALDH1A1PTGS2SCN1ASCN2A
SCHEMBL19317055 0.85 ADRB2 (0.38) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12018013 0.84 SCN1A (0.48) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL21422447 0.84 ADRB2 (0.37) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL18949239 0.83 TSHR (0.46) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL2531577 0.83 TSHR (0.56) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL19316662 0.82 PTPN1 (0.45) TSHRADRB2ADRB1ADRB3

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 1 patent. 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

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 TSHR 3456/4885ALDH1A1 1350/4885ADRB2 735/4885

“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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