SCHEMBL2395027

SCHEMBL2395027

COC(=O)c1ccc(C(=O)O[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 15/20 0.58
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 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
SCHEMBL12258548 1.00 BCHE (0.58) BCHENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12258544 1.00 BCHE (0.58) BCHENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL2394269 1.00 BCHE (0.58) BCHENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL2395025 1.00 BCHE (0.58) BCHENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12258546 1.00 BCHE (0.58) BCHENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL19178469 0.93 BCHE (0.57) BCHE
SCHEMBL12221644 0.92 BCHE (0.51) BCHERAB9ACA1CA2
SCHEMBL12942114 0.89 BCHE (0.52) BCHECA1CA2
SCHEMBL12902907 0.89 BCHE (0.54) BCHETDP1
SCHEMBL12411488 0.87 BCHE (0.59) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364251-B2 Polyesters from assymetrical monomers based upon bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2019-07-30 — — US disclosed
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
CN-102947360-B New polyester from asymmetry monomers based on double anhydrohexitols 新泽西理工学院 2016-12-21 — — CN disclosed
EP-2547708-A2 NEW POLYESTERS FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS New Jersey Institute of Technology (US) 2013-01-23 — — EP disclosed
US-20110237757-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols IOWA CORN PROMOTION BOARD (US) 2011-09-29 — — US disclosed
WO-2011116275-A2 NEW POLYESTERS FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2011-09-22 — — WO 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 (3 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-10364251-B2 Polyesters from assymetrical monomers based upon bisanhydrohexitols ACMSD, AKR1C2, ALDOA BCHE 2426/4885NPC1 4143/4885RAB9A 3973/4885
US-20110237757-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols ADSL, FHIT, ADSS2 BCHE 1980/4885NPC1 3453/4885RAB9A 3580/4885
US-20170210750-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols ADSL, FHIT, ADSS2 BCHE 1980/4885NPC1 3453/4885RAB9A 3580/4885

“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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