SCHEMBL2114866

SCHEMBL2114866

CCC(C)OC(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.52
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
UTS2R Q9UKP6 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 3/20 0.46
PTPN1 P18031 1/20 0.46
PLK1 P53350 1/20 0.46
MAPT P10636 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46

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
SCHEMBL27525529 0.98 CDC25B (0.51) CDC25BADRB2ADRB1ADRB3UTS2R
SCHEMBL6231293 0.85 ALDH1A1 (0.58) ALDH1A1MAPTGABRA1GABRG2GABRB3
SCHEMBL15204322 0.84 GABRA1 (0.43) CDC25BALDH1A1KDM4EKMT2AMAPT
SCHEMBL28400381 0.84 ALDH1A1 (0.43) CDC25BALDH1A1KDM4EKMT2AGAA
SCHEMBL2119530 0.83 NPC1 (0.55) CDC25BADRB2ADRB1ADRB3UTS2R
SCHEMBL27919018 0.82 NPC1 (0.54) CDC25BADRB2ADRB1ADRB3UTS2R
SCHEMBL7752287 0.82 ADRB2 (0.55) CDC25BADRB2ADRB1ADRB3UTS2R
SCHEMBL28143597 0.82 NPC1 (0.54) CDC25BADRB2ADRB1ADRB3UTS2R
SCHEMBL28144632 0.82 NPC1 (0.54) CDC25BADRB2ADRB1ADRB3UTS2R
SCHEMBL28398051 0.82 PPARG (0.53) CDC25BADRB2ADRB1ADRB3UTS2R

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
EP-3661900-B1 IRON-CATALYZED TRANSFER HYDROGENATION OF ESTERS TO ALCOHOLS EASTMAN CHEM CO (US) 2023-11-01 EP disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO disclosed
US-20100160589-A1 METHOD OF MANUFACTURING SEMICONDUCTOR DEVICE, ACID ETCHING RESISTANCE MATERIAL AND COPOLYMER ASAKAWA KOJI 2010-06-24 US disclosed
US-7714316-B2 Method of manufacturing semiconductor device, acid etching resistance material and copolymer KABUSHIKI KAISHA TOSHIBA (JP) 2010-05-11 US disclosed
US-7445881-B2 Method of manufacturing semiconductor device, acid etching resistant material and copolymer KABUSHIKI KAISHA TOSHIBA (JP) 2008-11-04 US disclosed
US-20080261149-A1 METHOD OF MANUFACTURING SEMICONDUCTOR DEVICE, ACID ETCHING RESISTANCE MATERIAL AND COPOLYMER ASAKAWA KOJI 2008-10-23 US disclosed
US-20070138139-A1 METHOD OF MANUFACTURING SEMICONDUCTOR DEVICE, ACID ETCHING RESISTANCE MATERIAL AND COPOLYMER ASAKAWA KOJI 2007-06-21 US disclosed
US-20070142592-A1 METHOD OF MANUFACTURING SEMICONDUCTOR DEVICE, ACID ETCHING RESISTANCE MATERIAL AND COPOLYMER ASAKAWA KOJI 2007-06-21 US disclosed
US-7208334-B2 Method of manufacturing semiconductor device, acid etching resistance material and copolymer KABUSHIKI KAISHA TOSHIBA (JP) 2007-04-24 US 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B CDC25B 2208/4885ADRB2 80/4885ADRB1 65/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B CDC25B 2208/4885ADRB2 80/4885ADRB1 65/4885

“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.