SCHEMBL4743410

SCHEMBL4743410

CC(C)C(=O)CC1CC2C=CC1C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
EPHX2 P34913 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
PKM P14618 3/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4742226 0.85 KDM4E (0.41) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL3675886 0.79 KDM4E (0.43) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL8464466 0.79 KDM4E (0.42) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL4377524 0.78 KDM4E (0.41) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL1086633 0.78 KDM4E (0.37) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL23694121 0.77 SLC6A12 (0.45) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL17934358 0.77 SLC6A12 (0.45) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL1787909 0.77 SLC6A12 (0.45) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL3760676 0.77 KDM4E (0.47) KDM4EALDH1A1LMNATDP1EPHX2
SCHEMBL75258 0.77 SLC6A12 (0.45) KDM4EALDH1A1LMNATDP1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160349268-A1 STEPWISE ASSEMBLED CAPTURE COMPOUNDS COMPRISING A CLEAVABLE FUNCTION AND METHOD FOR ISOLATING AND/OR CHARACTERIZING BIOMOLECULES OR BIOMOLECULE FRAGMENTS, IN PARTICULAR PROTEINS OR PROTEIN FRAGMENTS, OF COMPLEX MIXTURES CAPROTEC BIOANALYTICS GMBH (DE) 2016-12-01 US disclosed
US-8957062-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-02-27 US disclosed
US-20080199805-A1 PHOTOSENSITIVE COMPOSITIONS EMPLOYING SILICON-CONTAINING ADDITIVES FUJIFILM ELECTRONIC MATERIALS. U.S.A., INC. 2008-08-21 US disclosed
WO-2008098189-A1 PHOTOSENSITIVE COMPOSITIONS EMPLOYING SILICON-CONTAINING ADDITIVES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2008-08-14 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 (2 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-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 KDM4E 3488/4885ALDH1A1 2402/4885LMNA 3817/4885
US-20160349268-A1 STEPWISE ASSEMBLED CAPTURE COMPOUNDS COMPRISING A CLEAVABLE FUNCTION AND METHOD FOR ISOLATING AND/OR CHARACTERIZING BIOMOLECULES OR BIOMOLECULE FRAGMENTS, IN PARTICULAR PROTEINS OR PROTEIN FRAGMENTS, OF COMPLEX MIXTURES FGB, CPB1, FURIN KDM4E 4217/4885ALDH1A1 4855/4885LMNA 621/4885

“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.