SCHEMBL663885

SCHEMBL663885

CCOC(=O)[C@]1(C)CC[C@H](O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
F10 P00742 2/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
PRMT1 Q99873 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
FFAR3 O14843 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33
PTPN2 P17706 1/20 0.33

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
SCHEMBL12549788 1.00 BRD4 (0.38) BRD4F10CES2CES1PRMT1
SCHEMBL516378 1.00 BRD4 (0.38) BRD4F10CES2CES1PRMT1
SCHEMBL19813356 0.89 F10 (0.39) BRD4F10CES2CES1PRMT1
SCHEMBL2289941 0.85
SCHEMBL1908605 0.85 KDM4E (0.40) BRD4F10CES2CES1PRMT1
SCHEMBL18082673 0.85 KDM4E (0.40) BRD4F10CES2CES1PRMT1
SCHEMBL24313214 0.83 SMYD3 (0.39) BRD4F10CES2CES1PRMT1
SCHEMBL1282951 0.83 SMYD3 (0.39) BRD4F10CES2CES1PRMT1
SCHEMBL12549888 0.83 SMYD3 (0.39) BRD4F10CES2CES1PRMT1
SCHEMBL6745756 0.82 POLB (0.36) F10LMNAPOLBALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 BRD4 1495/4885F10 3477/4885CES2 368/4885

“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.