SCHEMBL3490348

SCHEMBL3490348

CC(C)(C)C(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 4/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA5A P35218 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA5B Q9Y2D0 2/20 0.39
▸ NT5E P21589 1/20 0.39
▸ SSTR1 P30872 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ SSTR5 P35346 1/20 0.37
▸ PTPN1 P18031 6/20 0.37
▸ CDC25B P30305 4/20 0.37
▸ PTPN2 P17706 2/20 0.36
▸ PTPN11 Q06124 2/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ MTOR P42345 1/20 0.36

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
SCHEMBL3490324 0.88 CA12 (0.50) TACR2CA12CA1CA2CA4
SCHEMBL18942038 0.87 CA12 (0.51) TACR2CA12CA1CA2CA4
SCHEMBL13498635 0.86 TACR2 (0.41) TACR2CA12CA1CA2CA4
SCHEMBL5688905 0.84 TACR2 (0.38) TACR2CA12CA1CA2CA4
SCHEMBL3489164 0.84 TACR2 (0.38) TACR2CA12CA1CA2CA4
SCHEMBL20820953 0.84 KMT2A (0.46) TACR2CA12CA1CA2CA4
SCHEMBL6552379 0.83 PTPN1 (0.50) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL8340914 0.82 TACR2 (0.37) TACR2CA12CA1CA2CA4
SCHEMBL7995830 0.82 CA12 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL8507736 0.82 CA12 (0.53) CA12CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055276-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY 2019-02-21 — — US disclosed
US-10059736-B2 Ionic liquid supported synthesis MCGILL UNIVERSITY (CA) 2018-08-28 — — US disclosed
US-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY (CA) 2010-02-18 — — US disclosed
EP-1861413-A1 IONIC LIQUID SUPPORTED SYNTHESIS McGILL UNIVERSITY (CA) 2007-12-05 — — EP disclosed
WO-2006096963-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY (CA) 2006-09-21 — — 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-20190055276-A1 IONIC LIQUID SUPPORTED SYNTHESIS IGF2BP1, IGF2BP2, IGF2BP3 TACR2 4393/4885CA12 1262/4885CA1 1263/4885
US-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS IGF2BP1, IGF2BP2, IGF2BP3 TACR2 4393/4885CA12 1262/4885CA1 1263/4885
US-10059736-B2 Ionic liquid supported synthesis IGF2BP1, IGF2BP2, IGF2BP3 TACR2 4393/4885CA12 1262/4885CA1 1263/4885

“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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