SCHEMBL12733561

SCHEMBL12733561

CCCOCCCCOCCCNC(=O)COCC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.51
▸ TSHR P16473 4/20 0.49
▸ RECQL P46063 1/20 0.49
▸ FAAH O00519 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ EPHX2 P34913 5/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL16182412 0.90 TSHR (0.56) CES2TSHRRECQLFAAHALDH1A1
SCHEMBL253658 0.88 CES2 (0.43) CES2TSHRRECQLFAAHALDH1A1
SCHEMBL13154532 0.87 CES2 (0.42) CES2TSHRRECQLFAAHALDH1A1
SCHEMBL16350546 0.86 CES2 (0.50) CES2TSHRRECQLFAAHALDH1A1
SCHEMBL12666244 0.86 CES2 (0.42) CES2TSHRRECQLFAAHALDH1A1
SCHEMBL27409799 0.85 TSHR (0.54) TSHRRECQLFAAHALDH1A1EPHX2
SCHEMBL15075515 0.84 FAAH (0.56) CES2TSHRRECQLFAAH
SCHEMBL14793113 0.84 TSHR (0.44) CES2TSHRRECQLFAAHALDH1A1
SCHEMBL13034763 0.84 TSHR (0.43) CES2TSHRRECQLFAAHALDH1A1
SCHEMBL12899416 0.84 TSHR (0.52) TSHRRECQLFAAHALDH1A1EPHX2

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-9150633-B2 Insulin analogues with an acyl and alkylene glycol moiety NOVO NORDISK A/S (DK) 2015-10-06 — — US disclosed
US-20110098440-A1 Insulin Analogues with an Acyl and Alkylene Glycol Moiety NOVO NORDISK A/S (DK) 2011-04-28 — — 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-20110098440-A1 Insulin Analogues with an Acyl and Alkylene Glycol Moiety IAPP, INSR, IGF1R CES2 2584/4885TSHR 372/4885RECQL 4680/4885

“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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