SCHEMBL10188903

SCHEMBL10188903

CC(=O)CCC(C)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
SLC15A2 Q16348 1/20 0.39
CHRM1 P11229 1/20 0.35
CA1 P00915 2/20 0.35
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 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
SCHEMBL17953993 1.00 ALDH1A1 (0.47) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL13293157 1.00 ALDH1A1 (0.47) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL9547901 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL15933413 0.82 PAOX (0.44) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL13410354 0.82 GABRR1 (0.46) ALDH1A1CYP1A2TDP1CHRM1CA1
SCHEMBL14197461 0.81 CYP1A2 (0.68) CYP1A2LMNASLC15A2GABRPGABRD
SCHEMBL12040134 0.81 CYP1A2 (0.68) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL2344610 0.81 CYP1A2 (0.68) CYP1A2LMNASLC15A2GABRPGABRD
SCHEMBL2352613 0.81 CYP1A2 (0.68) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL12658700 0.81 CYP1A2 (0.68) CYP1A2LMNASLC15A2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309560-A1 SOLUBLE LIQUID COMPOSITIONS OF SAFLUFENACIL, METHOD OF PREPARATION AND USE THEREOF ADAMA AGAN LTD. (IL) 2023-10-05 US disclosed
CN-115074189-A Process solution composition for treating macromolecules 东友精细化工有限公司 2022-09-20 CN disclosed
US-9376381-B2 High penetration prodrug compositions of peptides and peptide-related compounds TECHFIELDS PHARMA CO., LTD. (CN) 2016-06-28 US disclosed
EP-2322631-B1 Methods and compositions for the prodcution of orthogonal tRNA-aminoacyl-tRNA synthetase pairs SCRIPPS RESEARCH INST (US) 2014-11-12 EP disclosed
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 EP disclosed
WO-2013109939-A1 METHODS OF MAKING AND USING NANOSTRUCTURES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-07-25 WO disclosed
US-20120202243-A1 IN Vivo Incorporation of Unnatural Amino Acids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-09 US disclosed
US-8114648-B2 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-14 US disclosed
US-8030074-B2 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2011-10-04 US disclosed
EP-2322631-A1 In vivo incorporation of unnatural amino acids The Scripps Research Institute (US) 2011-05-18 EP disclosed
US-20080261311-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins THE SCRIPPS RESEARCH INSTITUTE and THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-23 US disclosed
US-20080227152-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-18 US disclosed
CN-100402474-C Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2008-07-16 CN disclosed
US-20080166783-A1 Translation system for biosynthesis of insulin like growth factor THE SCRIPPS RESEARCH INSTITUTE and THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-10 US disclosed
US-7368275-B2 Orthogonal tRNA synthetase that aminoacylates with reduced efficiency; lower km and recognizes selector codon in mRNA THE SCRIPPS RESEARCH INSTITUTE (US) 2008-05-06 US disclosed
US-20080014250-A1 Bifunctionalized polysaccharides PROTEINS AND PEPTIDES MANAGEMENT (FR) 2008-01-17 US disclosed
CN-101100429-A Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY LIMT (JP) 2008-01-09 CN disclosed
US-20070117184-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins THE SCRIPPS RESEARCH INSTITUTE 2007-05-24 US disclosed
US-20070060543-A1 Aminated complex-type sugar chain derivatives and process for the production thereof GLYTECH, INC. (JP) 2007-03-15 US disclosed
CN-1347861-A Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2002-05-08 CN 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 (5 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-20080014250-A1 Bifunctionalized polysaccharides CD44, SI, HDGF ALDH1A1 1537/4885CYP1A2 2913/4885TDP1 4234/4885
US-20230309560-A1 SOLUBLE LIQUID COMPOSITIONS OF SAFLUFENACIL, METHOD OF PREPARATION AND USE THEREOF SLCO4C1, OTC, SORD ALDH1A1 187/4885CYP1A2 1690/4885TDP1 841/4885
US-20080261311-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins AARS1, NSUN3, TRMT1 ALDH1A1 4462/4885CYP1A2 4692/4885TDP1 2420/4885
US-20070060543-A1 Aminated complex-type sugar chain derivatives and process for the production thereof OSTC, C9, FUT4 ALDH1A1 1323/4885CYP1A2 2054/4885TDP1 4858/4885
US-20070117184-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins AARS1, NSUN3, TRMT1 ALDH1A1 4462/4885CYP1A2 4692/4885TDP1 2420/4885

“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.