SCHEMBL17929147

SCHEMBL17929147

CC(C)(C)C[C@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](OC(C)(C)C)C(N)[C@H]2O)C(N)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ LRAT O95237 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX15 P16050 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
SCHEMBL14260217 0.87 MEN1 (0.46) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL12445645 0.82 MEN1 (0.43) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL5019683 0.82 MEN1 (0.43) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL24390139 0.77 L3MBTL1 (0.38) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL15459181 0.77 TSHR (0.55) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL20713636 0.75 L3MBTL1 (0.51) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL20713592 0.75 L3MBTL1 (0.51) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL22639646 0.75 L3MBTL1 (0.51) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL16577196 0.75 L3MBTL1 (0.51) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL16577216 0.75 L3MBTL1 (0.51) MEN1LRATTRPV1HSD17B10TSHR

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-20160206585-A1 A COMPOSITION COMPRISING A LIPID COMPOUND, A TRIGLYCERIDE, AND A SURFACTANT, AND METHODS OF USING THE SAME BASF AS (NO) 2016-07-21 — — 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 (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-20160206585-A1 A COMPOSITION COMPRISING A LIPID COMPOUND, A TRIGLYCERIDE, AND A SURFACTANT, AND METHODS OF USING THE SAME SCD5, LIPA, SBDS MEN1 4598/4885LRAT 373/4885TRPV1 2014/4885

“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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