SCHEMBL19316664

SCHEMBL19316664

C=C(C)C(=O)OCC(O)COC(=O)c1cc2ccccc2cc1C(=O)OC(CO)COC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.38
▸ ADRB1 P08588 12/20 0.38
▸ ADRB3 P13945 12/20 0.38
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PRKCA P17252 1/20 0.33

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
SCHEMBL19316666 0.93 TSHR (0.40) TSHRALDH1A1MAPK1SMN1; SMN2USP2
SCHEMBL19316649 0.88 TSHR (0.39) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL19316647 0.83 TSHR (0.39) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL19317055 0.82 ADRB2 (0.38) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL19316661 0.82 ADRB2 (0.40) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL19316662 0.81 PTPN1 (0.45) ADRB2ADRB1ADRB3TSHRPRKCA
SCHEMBL21422447 0.81 ADRB2 (0.37) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL172229 0.81 ADRB2 (0.45) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL24571157 0.79 ADRB2 (0.46) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL2531577 0.79 TSHR (0.56) 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.

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