SCHEMBL21422479

SCHEMBL21422479

C=CC(=O)OCC(COCCCC)OC(=O)c1ccc(Oc2ccc(C(=O)OCC(O)COC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 5/20 0.37
▸ ADRB1 P08588 5/20 0.37
▸ ADRB3 P13945 5/20 0.37
▸ TSHR P16473 5/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ RNASEL Q05823 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PLA2G4B P0C869 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
SCHEMBL21422411 0.81 ADRB2 (0.41) ADRB2ADRB1ADRB3PTPN1POLB
SCHEMBL21422393 0.79 PTPN1 (0.46) TSHRPTPN1HPGDPOLBAPEX1
SCHEMBL21422410 0.79 ADRB2 (0.49) ADRB2ADRB1ADRB3TSHRPOLB
SCHEMBL19316663 0.79 ADRB2 (0.41) ADRB2ADRB1ADRB3PTPN1SERPINE1
SCHEMBL22820958 0.77 PTPN1 (0.43) ADRB2ADRB1ADRB3TSHRPTPN1
SCHEMBL17307933 0.77 TDP1 (0.38) TSHRPTPN1HPGDPOLBAPEX1
SCHEMBL17307932 0.77 TSHR (0.42) TSHRPTPN1HPGDTDP1LMNA
SCHEMBL19316662 0.75 PTPN1 (0.45) ADRB2ADRB1ADRB3TSHRPTPN1
SCHEMBL21183311 0.75 PTPN1 (0.36) TSHRPTPN1POLBAPEX1HTT
SCHEMBL21422412 0.74 POLB (0.41) TSHRPTPN1HPGDPOLBAPEX1

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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