SCHEMBL662786

SCHEMBL662786

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)OCc3ccccc3)c(C3CC3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EGFR P00533 2/20 0.43
CCR8 P51685 1/20 0.42
LTA4H P09960 1/20 0.42
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL662787 1.00 ADORA3 (0.44) ADORA3MAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL10148075 0.89 EGFR (0.48) MAPTL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL665163 0.89 TDP1 (0.48) MAPTL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL665162 0.89 TDP1 (0.48) MAPTL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL664061 0.87 MAPT (0.45) MAPTL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL664060 0.87 MAPT (0.45) MAPTL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL10148066 0.87 MAPT (0.45) MAPTL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL664110 0.86 MEN1 (0.46) MAPTALDH1A1TDP1EGFRCCR8
SCHEMBL664109 0.86 MEN1 (0.46) MAPTALDH1A1TDP1EGFRCCR8
SCHEMBL10186099 0.85 TSHR (0.42) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1

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
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

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 ADORA3 900/4885MAPT 2628/4885L3MBTL1 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.