SCHEMBL2880406

SCHEMBL2880406

CCOC(=O)C1CCc2cnccc2C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
PDK1 Q15118 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
ELANE P08246 1/20 0.38
LIMK1 P53667 1/20 0.38
NPEPPS P55786 1/20 0.38
BRAF P15056 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL2883707 0.80 MAPT (0.50) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL13156056 0.76 GAA (0.48) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL2883246 0.76 KMT2A (0.45) KDM4EALDH1A1KMT2AGAA
SCHEMBL2880939 0.76 OPRL1 (0.50) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL2880257 0.76 PDK1 (0.46) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL5215197 0.74 PDK1 (0.49) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL9344657 0.72 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL6075563 0.72 KDM4E (0.55) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL2877546 0.72 NAMPT (0.45) KMT2A
SCHEMBL3630406 0.72 KDM4E (0.50) KDM4EALDH1A1KMT2APDK1HPGD

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
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 KDM4E 3605/4885ALDH1A1 2000/4885KMT2A 2466/4885

“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.