SCHEMBL664380

SCHEMBL664380

CCOC(=O)C1CCC(Cc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB3 P13945 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
GRIK1 P39086 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5523733 0.87 L3MBTL1 (0.59) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL5523736 0.87 L3MBTL1 (0.59) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL5532680 0.83 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL5522771 0.83 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2812600 0.82 KMT2A (0.56) MEN1KMT2AALDH1A1TSHRGRIK1
SCHEMBL10148245 0.81 PARP15 (0.54) MEN1KMT2AALDH1A1PKMKCNH2
SCHEMBL11590207 0.81 GRIK1 (0.53) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL29283290 0.80 KDM4E (0.45) MEN1KMT2AKDM4EALDH1A1PKM
SCHEMBL664676 0.79 POLB (0.57) KMT2AALDH1A1POLBLMNAPKM
SCHEMBL241349 0.79 POLB (0.57) KMT2AALDH1A1POLBLMNAPKM

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 6 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
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO 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 441/4885KDM4E 3060/4885

“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.