SCHEMBL664682

SCHEMBL664682

COC(=O)c1ccc(C2CCC(=CC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
HTT P42858 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
ATM Q13315 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
GLA P06280 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL14984449 0.88 ESR2 (0.54) ESR2HTTALDH1A1KDM4EHSD17B10
SCHEMBL3672218 0.87 ESR2 (0.51) ESR2ALDH1A1MAPT
SCHEMBL10147933 0.87 ESR2 (0.51) ESR2ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL601877 0.87 ESR2 (0.61) ESR2HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL5534578 0.84 ESR2 (0.67) ESR2
SCHEMBL25447088 0.79 ESR2 (0.48) ESR2ALDH1A1POLBMAPK1MAPT
SCHEMBL9480805 0.79 ALDH1A1 (0.45) ESR2HTTALDH1A1KDM4EHSD17B10
SCHEMBL28045102 0.76 ESR2 (0.53) ESR2ALDH1A1CA1CA2MAPT
SCHEMBL13267179 0.76 ALDH1A1 (0.55) HTTALDH1A1KDM4EHSD17B10GAA
SCHEMBL614371 0.75 ESR2 (0.56) ESR2HTTALDH1A1KDM4EHSD17B10

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
CN-102405209-A Diacylethylenediamine compound ASTELLAS PHARMA INC 2012-04-04 CN disclosed
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 ESR2 3697/4885HTT 922/4885ALDH1A1 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.