SCHEMBL664188

SCHEMBL664188

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
ATM Q13315 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
DGAT1 O75907 3/20 0.43
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL14984444 0.88 ALDH1A1 (0.48) ALDH1A1MAPTLMNACYP2C9KDM4E
SCHEMBL601321 0.88 CYP2C9 (0.46) ALDH1A1MAPTLMNACYP2C9KDM4E
SCHEMBL10147935 0.87 CYP2C9 (0.47) ALDH1A1MAPTLMNACYP2C9DGAT1
SCHEMBL434495 0.87 CYP2C9 (0.47) ALDH1A1MAPTLMNACYP2C9DGAT1
SCHEMBL434494 0.87 CYP2C9 (0.47) ALDH1A1MAPTLMNACYP2C9DGAT1
SCHEMBL600642 0.86 CYP2C9 (0.46) ALDH1A1MAPTLMNACYP2C9DGAT1
SCHEMBL600641 0.86 CYP2C9 (0.46) ALDH1A1MAPTLMNACYP2C9DGAT1
SCHEMBL5531306 0.84 ESR2 (0.53) ALDH1A1MAPTLMNACYP2C9GPR119
SCHEMBL25447087 0.83 CYP2C9 (0.45) ALDH1A1MAPTLMNACYP2C9DGAT1
SCHEMBL17730783 0.82 CYP2C9 (0.46) ALDH1A1MAPTLMNACYP2C9DGAT1

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 ALDH1A1 963/4885MAPT 2628/4885LMNA 2889/4885

“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.