SCHEMBL13498635

SCHEMBL13498635

CCC(=O)OCC1O[C@@H](Sc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 4/20 0.41
▸ 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
▸ TNF P01375 1/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ PTPN1 P18031 5/20 0.37
▸ CDC25B P30305 3/20 0.37
▸ NT5E P21589 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PTPN2 P17706 1/20 0.37

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
SCHEMBL13498632 0.94 SSTR1 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13498633 0.94 SSTR1 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL5688905 0.89 TACR2 (0.38) TACR2CA12CA1CA2CA4
SCHEMBL3489164 0.89 TACR2 (0.38) TACR2CA12CA1CA2CA4
SCHEMBL3490324 0.89 CA12 (0.50) TACR2CA12CA1CA2CA4
SCHEMBL18942038 0.88 CA12 (0.51) TACR2CA12CA1CA2CA4
SCHEMBL3490348 0.86 TACR2 (0.39) TACR2CA12CA1CA2CA4
SCHEMBL20820953 0.84 KMT2A (0.46) TACR2CA12CA1CA2CA4
SCHEMBL19818848 0.83 CA12 (0.49) TACR2CA12CA1CA2CA4
SCHEMBL24086079 0.82 CA12 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY (CA) 2010-02-18 — — 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-20100041869-A1 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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