SCHEMBL13449570

SCHEMBL13449570

CC1[C@@H](C)[C@@H](OCc2ccccc2)C(COCc2ccccc2)O[C@]1(C)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.41
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ TACR2 P21452 3/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ PTPN1 P18031 6/20 0.39
▸ CDC25B P30305 6/20 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
▸ GJB2 P29033 2/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PTPN2 P17706 2/20 0.35
▸ PTPN6 P29350 2/20 0.35
▸ PTPN11 Q06124 2/20 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
SCHEMBL13449558 1.00 NT5E (0.41) NT5EBCHEACHETACR2HTR1A
SCHEMBL13449546 0.87 TSHR (0.38) NT5E
SCHEMBL11673910 0.86 NT5E (0.43) NT5EBCHEACHETACR2HTR1A
SCHEMBL11673905 0.86 NT5E (0.43) NT5EBCHEACHETACR2HTR1A
SCHEMBL14599853 0.85 NT5E (0.44) NT5EBCHEACHETACR2HTR1A
SCHEMBL20952828 0.85 NT5E (0.44) NT5EBCHEACHETACR2HTR1A
SCHEMBL13572465 0.85 NT5E (0.44) NT5EBCHEACHETACR2HTR1A
SCHEMBL16027750 0.85 NT5E (0.44) NT5EBCHEACHETACR2HTR1A
SCHEMBL11673525 0.85 NT5E (0.44) NT5EBCHEACHETACR2HTR1A
SCHEMBL16689643 0.82 NT5E (0.38) NT5EBCHEACHETACR2HTR1A

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-20120263649-A1 DETECTION OF MYCOBACTERIA ISIS INNOVATION LIMITED (GB) 2012-10-18 — — 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-20120263649-A1 DETECTION OF MYCOBACTERIA LY96, MICA, CD74 NT5E 2821/4885BCHE 2774/4885ACHE 772/4885

“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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