SCHEMBL19316660

SCHEMBL19316660

C=C(C)C(=O)OCC(CO)OC(=O)c1ccc2cc(C(=O)OC(CO)COC(=O)C(=C)C)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.46
▸ TSHR P16473 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SERPINE1 P05121 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ PTPN2 P17706 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.34
▸ PRKCA P17252 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
SCHEMBL21422412 0.87 POLB (0.41) PTPN1TSHRPOLBAPEX1HTT
SCHEMBL19316654 0.86 TSHR (0.42) PTPN1TSHRPOLBAPEX1HTT
SCHEMBL19316663 0.86 ADRB2 (0.41) PTPN1SERPINE1ADRB2ADRB1ADRB3
SCHEMBL19316657 0.84 PTPN1 (0.43) PTPN1TSHRPOLBAPEX1HTT
SCHEMBL19316666 0.83 TSHR (0.40) PTPN1TSHRPOLBAPEX1HTT
SCHEMBL19316662 0.83 PTPN1 (0.45) PTPN1TSHRSERPINE1ADRB2ADRB1
SCHEMBL21422411 0.81 ADRB2 (0.41) PTPN1POLBAPEX1HTTTDP1
SCHEMBL19316643 0.80 PTPN1 (0.42) PTPN1TSHRSERPINE1ADRB2ADRB1
SCHEMBL19316658 0.80 ADRB2 (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21422393 0.80 PTPN1 (0.46) PTPN1TSHRPOLBAPEX1HTT

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 PTPN1 4799/4885TSHR 3456/4885POLB 2569/4885

“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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