SCHEMBL19316669

SCHEMBL19316669

C=C(C)C(=C)OCCOC(=O)c1ccccc1-c1ccccc1C(=O)OCC(O)COC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ADRB2 P07550 12/20 0.40
▸ ADRB1 P08588 12/20 0.40
▸ ADRB3 P13945 12/20 0.40
▸ SCN1A P35498 2/20 0.38
▸ SCN2A Q99250 2/20 0.38
▸ SCN3A Q9NY46 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16193204 0.91 TSHR (0.47) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL21869041 0.87 TSHR (0.38) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL18949239 0.85 TSHR (0.46) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL2531577 0.85 TSHR (0.56) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12018013 0.84 SCN1A (0.48) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL15713250 0.83 TSHR (0.53) TSHRALDH1A1SCN1ASCN2ASCN3A
SCHEMBL19316647 0.81 TSHR (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL19316649 0.81 TSHR (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL22667518 0.81 TSHR (0.49) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL28606185 0.80 TSHR (0.48) TSHRALDH1A1ADRB2ADRB1ADRB3

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 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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