SCHEMBL2799652

SCHEMBL2799652

CCCCCC(O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.50
CETP P11597 4/20 0.46
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTRC Q99895 1/20 0.41

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
SCHEMBL31548009 0.98 CSNK1E (0.53) CSNK1ECETPCNR2ALDH1A1CTRC
SCHEMBL29121124 0.98 CSNK1E (0.53) CSNK1ECETPCNR2ALDH1A1CTRC
SCHEMBL27945819 0.98 CSNK1E (0.53) CSNK1ECETPCNR2ALDH1A1CTRC
SCHEMBL8086653 0.98 CSNK1E (0.53) CSNK1ECETPCNR2ALDH1A1CTRC
SCHEMBL9684327 0.98 CSNK1E (0.53) CSNK1ECETPCNR2ALDH1A1CTRC
SCHEMBL23857754 0.98 CSNK1E (0.53) CSNK1ECETPCNR2ALDH1A1CTRC
SCHEMBL3338742 0.95 CETP (0.44) CSNK1ECETPCNR2ALDH1A1CYP3A4
SCHEMBL2076706 0.87 CA1 (0.43) CETPALDH1A1TSHRMAPK1
SCHEMBL22455862 0.84 LTA4H (0.44) ALDH1A1TSHRTDP1
SCHEMBL29172647 0.83 CA1 (0.48) ALDH1A1TSHRMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218231-A Cyclobutane dicarboxylic acid platinum complex, wherein mesosome, preparation method, pharmaceutical composition and purposes 天津谷堆生物医药科技有限公司 2019-09-10 CN disclosed
US-9321934-B2 Method and material system for building models in layers VOXELJET AG (DE) 2016-04-26 US disclosed
US-20160102100-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-04-14 US disclosed
US-20130302575-A1 METHOD AND MATERIAL SYSTEM FOR BUILDING MODELS IN LAYERS VOXELJET TECHNOLOGY GMBH (DE) 2013-11-14 US disclosed
EP-2161997-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE Boger, Dale L. (US) 2010-03-17 EP disclosed
WO-2008150492-A1 TRICYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-11 WO disclosed
EP-1565507-A1 NON-SETTING PROTECTED POLYISOCYANATES Bayer MaterialScience AG (DE) 2005-08-24 EP disclosed
WO-2004046219-A1 NON-SETTING PROTECTED POLYISOCYANATES BAYER MATERIALSCIENCE AG (DE) 2004-06-03 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-20160102100-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, CYP4B1, NR1H4 CSNK1E 3620/4885CETP 3175/4885CNR2 100/4885

“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.