SCHEMBL19316661

SCHEMBL19316661

C=CC(=O)OCC(O)COC(=O)c1cc2ccccc2cc1C(=O)OCC(O)COC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.40
▸ ADRB1 P08588 13/20 0.40
▸ ADRB3 P13945 13/20 0.40
▸ TSHR P16473 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL24191167 0.90 TSHR (0.47) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL11223507 0.83 SMN1; SMN2 (0.49) ADRB2ADRB1ADRB3TSHRALDH1A1
Phthalic Acid SCHEMBL27722618 0.83 THRB (0.40) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL8492483 0.82 THRB (0.51) ADRB2ADRB1ADRB3THRBSMN1; SMN2
SCHEMBL19316664 0.82 ADRB2 (0.38) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL24571157 0.81 ADRB2 (0.46) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL18392498 0.81 TSHR (0.43) ADRB2ADRB1ADRB3TSHRTHRB
SCHEMBL2531577 0.81 TSHR (0.56) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL36451 0.81 TSHR (0.53) TSHRALDH1A1THRBSMN1; SMN2CYP3A4
SCHEMBL23964584 0.81 TSHR (0.53) TSHRALDH1A1THRBSMN1; SMN2CYP3A4

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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