SCHEMBL17449261

SCHEMBL17449261

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
NT5E P21589 1/20 0.42
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
TACR2 P21452 1/20 0.37
PTPN1 P18031 1/20 0.37
CDC25B P30305 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 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
SCHEMBL3147435 0.92 NT5E (0.48) LMNAKMT2AALDH1A1CYP2D6MAPK1
SCHEMBL5423704 0.92 NT5E (0.48) LMNAKMT2AALDH1A1CYP2D6MAPK1
SCHEMBL12606126 0.92 NT5E (0.48) LMNAKMT2AALDH1A1CYP2D6MAPK1
SCHEMBL13381004 0.92 NT5E (0.48) LMNAKMT2AALDH1A1CYP2D6MAPK1
SCHEMBL244073 0.92 NT5E (0.48) LMNAKMT2AALDH1A1CYP2D6MAPK1
SCHEMBL14598392 0.88 NT5E (0.49) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL28630801 0.85 CYP2D6 (0.41) LMNAKMT2AALDH1A1CYP2D6MAPK1
SCHEMBL14363005 0.85 CYP2D6 (0.41) LMNAKMT2AALDH1A1CYP2D6MAPK1
SCHEMBL24672154 0.82 NT5E (0.53) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL22315183 0.82 NT5E (0.55) CYP2D6NT5ESSTR1SSTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858955-B2 Flavor composition containing HMG glucosides MARS, INCORPORATED (US) 2024-01-02 US disclosed
US-20160015063-A1 FLAVOR COMPOSITION CONTAINING HMG GLUCOSIDES MARS, INCORPORATED (US) 2016-01-21 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 (2 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-20160015063-A1 FLAVOR COMPOSITION CONTAINING HMG GLUCOSIDES HMGB3, HMGCR, HMGB2 LMNA 1773/4885KMT2A 1706/4885ALDH1A1 1562/4885
US-11858955-B2 Flavor composition containing HMG glucosides HMGB3, HMGCR, HMGB2 LMNA 1773/4885KMT2A 1706/4885ALDH1A1 1562/4885

“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.