SCHEMBL16317613

SCHEMBL16317613

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 2/20 0.38
▸ CYP3A4 P08684 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ LGALS9 O00182 1/20 0.35
▸ LGALS1 P09382 1/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ LGALS7; LGALS7B P47929 1/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ FGF1 P05230 1/20 0.34
▸ FGF2 P09038 1/20 0.34
▸ VEGFA P15692 1/20 0.34
▸ HPSE Q9Y251 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ PRKCA P17252 2/20 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
SCHEMBL12650543 0.90 SLC6A2 (0.37) KMT2ALGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12798049 0.90 SLC6A2 (0.37) KMT2ALGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12798042 0.87 TSHR (0.48) TSHRLMNAKMT2ACYP2D6PAX8
SCHEMBL16317615 0.86 ALDH1A1 (0.41) TSHRALDH1A1MAPK1LGALS9LGALS1
SCHEMBL12650358 0.85 MEN1 (0.40) TSHRALDH1A1KMT2ALGALS9LGALS1
SCHEMBL12798046 0.85 MEN1 (0.40) TSHRALDH1A1KMT2ALGALS9LGALS1
SCHEMBL5578523 0.84 TSHR (0.48) TSHRLMNACYP3A4ALDH1A1MAPK1
SCHEMBL12650357 0.82 ACHE (0.41) KMT2ASLC6A2
SCHEMBL12798043 0.82 TSHR (0.47) TSHRLMNAALDH1A1KMT2ACYP2D6
SCHEMBL12604172 0.77 SLC6A2 (0.41) KMT2ALGALS9LGALS1LGALS3LGALS7; LGALS7B

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 4117/4885LMNA 4475/4885CYP3A4 879/4885

“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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