SCHEMBL12798043

SCHEMBL12798043

CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)OC(c3ccccc3)O[C@H]2COC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ PAX8 Q06710 1/20 0.43
▸ PRKCA P17252 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ CA1 P00915 7/20 0.41
▸ CA2 P00918 7/20 0.41
▸ CA9 Q16790 7/20 0.41
▸ CA12 O43570 6/20 0.41
▸ CA14 Q9ULX7 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL12798042 0.92 TSHR (0.48) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL16317615 0.84 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL5578523 0.84 TSHR (0.48) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL14199405 0.82 ALDH1A1 (0.54) PAX8PRKCAAKT1PTK2CA1
SCHEMBL16317613 0.82 TSHR (0.41) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL12798041 0.81 ALDH1A1 (0.49) ALDH1A1KMT2A
SCHEMBL23591488 0.77 TSHR (0.56) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL14199413 0.76 ALDH1A1 (0.52) CA1CA2CA9ALDH1A1KMT2A
SCHEMBL15083009 0.76 TSHR (0.52) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL13290312 0.75 L3MBTL1 (0.51) TSHRPAX8CA1CA2KMT2A

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-7902158-B2 Polysulfated glycosides and salts thereof Ivax Drug Research Ltd. (HU) 2011-03-08 — — US disclosed
US-20070281893-A1 Polysulfated Glycosides And Salts Thereof IVAX DRUG RESEARCH INSTITUTE LTD (HU) 2007-12-06 — — 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-20070281893-A1 Polysulfated Glycosides And Salts Thereof CFTR, AREG, STS TSHR 4117/4885PAX8 4598/4885PRKCA 1961/4885

“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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