SCHEMBL14020069

SCHEMBL14020069

CC(=O)OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)c3ccccc3)O[C@@H]2COC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@H](OCc2ccccc2)[C@@H]1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ PAX8 Q06710 1/20 0.45
▸ PRKCA P17252 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ PTK2 Q05397 1/20 0.45
▸ NT5E P21589 1/20 0.44
▸ CA12 O43570 8/20 0.43
▸ CA1 P00915 8/20 0.43
▸ CA2 P00918 8/20 0.43
▸ CA9 Q16790 8/20 0.43
▸ CA14 Q9ULX7 2/20 0.43

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
SCHEMBL21134972 0.88 TSHR (0.50) LMNACYP2D6MAPK1KMT2ATSHR
SCHEMBL22677782 0.87 NT5E (0.49) NT5E
SCHEMBL12920540 0.86 NT5E (0.50) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL17501955 0.85 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL17501966 0.85 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL17501962 0.85 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL17501958 0.85 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL24086068 0.83 LMNA (0.63) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL17502040 0.83 LMNA (0.63) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL970376 0.83 LMNA (0.63) LMNACYP2D6ALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249165-A1 Glycosides and Salts Thereof IVAX DRUG RESEARCH INSTITUTE LTD. (HU) 2008-10-09 — — 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-20080249165-A1 Glycosides and Salts Thereof AREG, MRGPRX2, IL33 LMNA 4117/4885CYP2D6 2165/4885ALDH1A1 1484/4885

“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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