SCHEMBL10148075

SCHEMBL10148075

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
MAPT P10636 2/20 0.46
CCR8 P51685 1/20 0.44
LTA4H P09960 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 1/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL665163 0.92 TDP1 (0.48) EGFRMAPTCCR8LTA4HL3MBTL1
SCHEMBL665162 0.92 TDP1 (0.48) EGFRMAPTCCR8LTA4HL3MBTL1
SCHEMBL664061 0.90 MAPT (0.45) EGFRMAPTCCR8LTA4HL3MBTL1
SCHEMBL664060 0.90 MAPT (0.45) EGFRMAPTCCR8LTA4HL3MBTL1
SCHEMBL10148066 0.90 MAPT (0.45) EGFRMAPTCCR8LTA4HL3MBTL1
SCHEMBL662787 0.89 ADORA3 (0.44) EGFRMAPTCCR8LTA4HL3MBTL1
SCHEMBL664109 0.89 MEN1 (0.46) EGFRMAPTCCR8LTA4HALDH1A1
SCHEMBL664110 0.89 MEN1 (0.46) EGFRMAPTCCR8LTA4HALDH1A1
SCHEMBL662786 0.89 ADORA3 (0.44) EGFRMAPTCCR8LTA4HL3MBTL1
SCHEMBL10147938 0.87 EPHX2 (0.54) EGFRMAPTCCR8LTA4HL3MBTL1

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
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
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO 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 EGFR 4767/4885MAPT 2628/4885CCR8 4603/4885

“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.