SCHEMBL664110

SCHEMBL664110

CCOC(=O)C1CCC(Oc2ccc(C(=O)OCc3ccccc3)c(OC)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
EGFR P00533 2/20 0.43
CCR8 P51685 1/20 0.42
PRNP P04156 1/20 0.42
LTA4H P09960 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
SCHEMBL664109 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL10148075 0.89 EGFR (0.48) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL665163 0.89 TDP1 (0.48) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL665162 0.89 TDP1 (0.48) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL664061 0.87 MAPT (0.45) ALDH1A1TDP1MAPTKDM4EEGFR
SCHEMBL10148066 0.87 MAPT (0.45) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL664060 0.87 MAPT (0.45) ALDH1A1TDP1MAPTKDM4EEGFR
SCHEMBL662787 0.86 ADORA3 (0.44) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL662786 0.86 ADORA3 (0.44) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL661702 0.85 ALDH1A1 (0.52) MEN1KMT2AALDH1A1POLBTDP1

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 MEN1 2222/4885KMT2A 441/4885ALDH1A1 963/4885

“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.