SCHEMBL16234429

SCHEMBL16234429

CCCCOC1[C@H](OC(C)=O)C(O[C@@H]2C(COC(C)=O)OC(OC)[C@@H](NCC(=O)c3ccccc3)[C@H]2OCCCC)O[C@@H](C(=O)OC)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.41
▸ LMNA P02545 2/20 0.38
▸ PRKCA P17252 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CA1 P00915 11/20 0.35
▸ CA2 P00918 11/20 0.35
▸ CA9 Q16790 11/20 0.35
▸ CA12 O43570 10/20 0.35
▸ CA14 Q9ULX7 4/20 0.35

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
SCHEMBL14474347 1.00 PAX8 (0.41) PAX8LMNAPRKCAAKT1PTK2
SCHEMBL16234425 0.84 LMNA (0.38) LMNAKMT2ATSHR
SCHEMBL14473900 0.84 LMNA (0.38) LMNAKMT2ATSHR
SCHEMBL16234426 0.81 LMNA (0.40) PAX8LMNAKMT2ATSHR
SCHEMBL12778793 0.79 CYP2D6 (0.41) PAX8LMNAPRKCAAKT1PTK2
SCHEMBL7464539 0.78 LMNA (0.47) PAX8LMNAPRKCAAKT1PTK2
SCHEMBL16234461 0.77 PAX8 (0.36) PAX8LMNAPRKCAAKT1PTK2
SCHEMBL16273573 0.75 CYP2D6 (0.36) PAX8PRKCAAKT1PTK2CA1
SCHEMBL15171149 0.75 TNF (0.35) PAX8KMT2A
SCHEMBL14817682 0.75 TNF (0.35) PAX8KMT2A

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-20140336369-A1 PROCESS FOR PREPARING HEPARINOIDS AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE US LLC (US) 2014-11-13 — — 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-20140336369-A1 PROCESS FOR PREPARING HEPARINOIDS AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF HPSE, STS, F11 PAX8 4466/4885LMNA 900/4885PRKCA 3117/4885

“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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