SCHEMBL3674258

SCHEMBL3674258

O=C1CCC2(CCCCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Ethylene SCHEMBL17611952 0.96 KCNH2 (0.33) KCNH2TRIM24TRIM33
SCHEMBL134965 0.93 TRIM24 (0.35) TRIM24TRIM33ALDH1A1MEN1CYP2C9
SCHEMBL28272321 0.91 TRIM24 (0.33) TRIM24TRIM33ALDH1A1MEN1CYP2C9
SCHEMBL1813694 0.89 TRIM24 (0.38) TRIM24TRIM33ALDH1A1
SCHEMBL30447934 0.85 MEN1 (0.34) TRIM24TRIM33ALDH1A1MEN1CYP2C9
SCHEMBL3658994 0.80 KCNH2 (0.38) KCNH2
SCHEMBL26444546 0.79
SCHEMBL31570418 0.79 KCNH2 (0.32) KCNH2
SCHEMBL14966409 0.78 TRIM24 (0.31) TRIM24TRIM33MEN1KMT2A
SCHEMBL16878094 0.77 KCNH2 (0.37) KCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291905-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-12 US disclosed
US-20170291905-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-12 US disclosed
US-20170291905-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-12 US disclosed
WO-2016044626-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
WO-2016044626-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 EP disclosed
EP-2207763-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED AND UNSUBSTITUTED CYCLOHEXANONE MONOKETALS Bayer CropScience AG (DE) 2010-07-21 EP disclosed
WO-2009056233-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED AND UNSUBSTITUTED CYCLOHEXANONE MONOKETALS BAYER CROPSCIENCE AG (DE) 2009-05-07 WO disclosed
WO-2008119716-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119716-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 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-20170291905-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT6 KCNH2 4709/4885TRIM24 1978/4885TRIM33 2433/4885

“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.