SCHEMBL12258554

SCHEMBL12258554

CO[C@H]1COC2C1OC[C@H]2OC(=O)c1ccc(C(=O)O[C@H]2COC3C2OC[C@H]3OC(=O)c2ccc(C(=O)O[C@H]3COC4C3OC[C@H]4OC(=O)c3ccc(C(C)=O)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 16/20 0.56
▸ PTPN1 P18031 3/20 0.41
▸ PTPN2 P17706 2/20 0.41
▸ PTPRF P10586 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12258550 1.00 BCHE (0.56) BCHEPTPN1PTPN2PTPRFLMNA
SCHEMBL26759556 0.92 BCHE (0.52) BCHE
SCHEMBL438900 0.82 BCHE (0.58) BCHE
SCHEMBL12587374 0.82 BCHE (0.58) BCHE
SCHEMBL18074848 0.82 BCHE (0.58) BCHE
SCHEMBL437825 0.82 BCHE (0.58) BCHE
SCHEMBL18074846 0.82 BCHE (0.58) BCHE
SCHEMBL18074852 0.82 BCHE (0.58) BCHE
SCHEMBL14454320 0.82 BCHE (0.58) BCHE
SCHEMBL18074845 0.82 BCHE (0.58) BCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210750-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY 2017-07-27 — — US disclosed
US-9580544-B2 Polyesters from asymetrical monomers based upon bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2017-02-28 — — US disclosed
US-20110237757-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols IOWA CORN PROMOTION BOARD (US) 2011-09-29 — — 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 (2 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-20110237757-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols ADSL, FHIT, ADSS2 BCHE 1980/4885PTPN1 4252/4885PTPN2 4047/4885
US-20170210750-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols ADSL, FHIT, ADSS2 BCHE 1980/4885PTPN1 4252/4885PTPN2 4047/4885

“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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