SCHEMBL665162

SCHEMBL665162

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.46
EGFR P00533 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CCR8 P51685 1/20 0.44
LTA4H P09960 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAOB P27338 1/20 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
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42

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 1.00 TDP1 (0.48) TDP1MAPTEGFRCA12CA1
SCHEMBL10148075 0.92 EGFR (0.48) TDP1MAPTEGFRCCR8LTA4H
SCHEMBL664060 0.90 MAPT (0.45) TDP1MAPTEGFRCCR8LTA4H
SCHEMBL664061 0.90 MAPT (0.45) TDP1MAPTEGFRCCR8LTA4H
SCHEMBL10148066 0.90 MAPT (0.45) TDP1MAPTEGFRCCR8LTA4H
SCHEMBL664110 0.89 MEN1 (0.46) TDP1MAPTEGFRCCR8LTA4H
SCHEMBL662787 0.89 ADORA3 (0.44) TDP1MAPTEGFRCCR8LTA4H
SCHEMBL662786 0.89 ADORA3 (0.44) TDP1MAPTEGFRCCR8LTA4H
SCHEMBL664109 0.89 MEN1 (0.46) TDP1MAPTEGFRCCR8LTA4H
SCHEMBL10148190 0.85 ALDH1A1 (0.45) TDP1MAPTCA12CA1CA2

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 TDP1 2744/4885MAPT 2628/4885EGFR 4767/4885

“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.