SCHEMBL664060

SCHEMBL664060

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)OCc3ccccc3)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
EGFR P00533 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
CCR8 P51685 1/20 0.43
HSD11B1 P28845 1/20 0.43
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL664061 1.00 MAPT (0.45) MAPTEGFRL3MBTL1LMNATAS2R14
SCHEMBL10148075 0.90 EGFR (0.48) MAPTEGFRL3MBTL1CCR8LTA4H
SCHEMBL665162 0.90 TDP1 (0.48) MAPTEGFRL3MBTL1CCR8LTA4H
SCHEMBL665163 0.90 TDP1 (0.48) MAPTEGFRL3MBTL1CCR8LTA4H
SCHEMBL10148066 0.88 MAPT (0.45) MAPTEGFRL3MBTL1CCR8LTA4H
SCHEMBL664109 0.87 MEN1 (0.46) MAPTEGFRCCR8LTA4HALDH1A1
SCHEMBL664110 0.87 MEN1 (0.46) MAPTEGFRCCR8LTA4HALDH1A1
SCHEMBL662787 0.87 ADORA3 (0.44) MAPTEGFRL3MBTL1CCR8LTA4H
SCHEMBL662786 0.87 ADORA3 (0.44) MAPTEGFRL3MBTL1CCR8LTA4H
SCHEMBL664684 0.85 TSHR (0.45) HSD11B1ALDH1A1TSHRPKMMAOA

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-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 MAPT 2628/4885EGFR 4767/4885L3MBTL1 607/4885

“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.