SCHEMBL22820958

SCHEMBL22820958

C=CC(=O)OCC(COC(=O)C(=C)C)OC(=O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.43
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA7 P43166 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA14 Q9ULX7 3/20 0.42
▸ ESR1 P03372 4/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ TSHR P16473 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ADRB2 P07550 2/20 0.37
▸ ADRB1 P08588 2/20 0.37
▸ ADRB3 P13945 2/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL21183311 0.85 PTPN1 (0.36) PTPN1SERPINE1TSHRALDH1A1TDP1
SCHEMBL21422384 0.82 PTPN1 (0.48) PTPN1CA12CA1CA2CA7
SCHEMBL700973 0.80 TSHR (0.50) TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL176350 0.80 TSHR (0.50) TSHRALDH1A1MAPK1SMN1; SMN2
SCHEMBL13577800 0.80 ESR1 (0.47) PTPN1CA12CA1CA2CA7
SCHEMBL21422393 0.79 PTPN1 (0.46) PTPN1SERPINE1TSHRALDH1A1TDP1
SCHEMBL18567468 0.79 TSHR (0.49) TSHRALDH1A1
SCHEMBL21422479 0.77 ADRB2 (0.37) PTPN1ESR1SERPINE1TSHRALDH1A1
SCHEMBL822647 0.77 PDCD1 (0.54) PTPN1ESR1ESR2SERPINE1TSHR
SCHEMBL4464394 0.77 TSHR (0.53) TSHRALDH1A1

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-20210002500-A1 INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT NV (BE) 2021-01-07 — — US disclosed
US-20200399492-A1 INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT NV (BE) 2020-12-24 — — 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-20210002500-A1 INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS ITGB3, RCOR3, RBCK1 PTPN1 720/4885CA12 4431/4885CA1 4349/4885

“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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