SCHEMBL21422447

SCHEMBL21422447

C=C(C)C(=O)OCC(O)COC(=O)c1ccccc1C(CC)(CC)OC(CC)(CC)c1ccccc1C(=O)OC(CO)COC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 15/20 0.37
▸ ADRB1 P08588 15/20 0.37
▸ ADRB3 P13945 15/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA2 P00918 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL19317055 0.90 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL19316649 0.84 TSHR (0.39) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL19316664 0.81 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL19316647 0.79 TSHR (0.39) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL2531577 0.76 TSHR (0.56) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL19316662 0.76 PTPN1 (0.45) ADRB2ADRB1ADRB3TSHR
SCHEMBL12019253 0.74 TSHR (0.40) ALDH1A1TSHR
SCHEMBL3794330 0.74 ADRB2 (0.42) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL12019252 0.74 SCN1A (0.47) ALDH1A1TSHR
SCHEMBL19316666 0.73 TSHR (0.40) ALDH1A1TSHR

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-20190300472-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORPORATION (JP) 2019-10-03 — — 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-20190300472-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER CHRM1, CHRM2, H1-0 ADRB2 546/4885ADRB1 582/4885ADRB3 1596/4885

“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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