SCHEMBL3871573

SCHEMBL3871573

O=C(O)C(=O)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 1/20 0.48
EPHX2 P34913 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SLC1A3 P43003 3/20 0.40
SLC1A2 P43004 3/20 0.40
SLC1A1 P43005 3/20 0.40
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX5 P09917 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
HAO1 Q9UJM8 1/20 0.38

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
SCHEMBL8090333 0.97 KMT2A (0.45) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL31277089 0.92 KMT2A (0.40) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL6978161 0.87
SCHEMBL7085369 0.87 EPHX1 (0.54) EPHX1HPGDKMT2AEPHX2NPC1
Cyclohexane SCHEMBL3394348 0.79 EPHX1 (0.52) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL6946772 0.79 EPHX1 (0.52) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL5711897 0.79 EPHX1 (0.52) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL175425 0.79 EPHX1 (0.52) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL14679380 0.79 EPHX1 (0.52) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL11098596 0.79 EPHX1 (0.52) EPHX1HPGDKMT2AEPHX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550277-B2 D-amino acid dehydrogenase and method of making D-amino acids CODEXIS, INC. (US) 2009-06-23 US claimed
US-20080182972-A1 D-amino acid dehydrogenase and method of making D-amino acids INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2008-07-31 US claimed
EP-1896574-A2 D-AMINO ACID DEHYDROGENASE AND METHOD OF MAKING D-AMINO ACIDS BioCatalytics Inc. (US) 2008-03-12 EP claimed
WO-2006113085-A2 D-AMINO ACID DEHYDROGENASE AND METHOD OF MAKING D-AMINO ACIDS BIOCATALYTICS, INC. (US) 2006-10-26 WO claimed
US-5854035-A Enzyme with leuDH activity, nucleotide sequence coding therefor and process for the prepartion of the enzyme DEGUSSA AG (DE) 1998-12-29 US claimed
EP-0792933-A2 Enzyme having LeuDH activity, nucleotide sequence coding therefor and process for the preparation of this enzyme Degussa Aktiengesellschaft (DE) 1997-09-03 EP claimed
CN-110003235-B Isoxazole succinimide compound and synthetic method thereof 上海大学 2022-01-07 CN disclosed
US-20160319312-A1 SYNTHESIS METHOD FOR L-CYCLIC ALKYL AMINO ACID AND PHARMACEUTICAL COMPOSITION HAVING THEREOF TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD. (CN) 2016-11-03 US disclosed
US-20160319312-A1 SYNTHESIS METHOD FOR L-CYCLIC ALKYL AMINO ACID AND PHARMACEUTICAL COMPOSITION HAVING THEREOF TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD. (CN) 2016-11-03 US disclosed
US-7550277-B2 D-amino acid dehydrogenase and method of making D-amino acids CODEXIS, INC. (US) 2009-06-23 US disclosed
US-20080188448-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2008-08-07 US disclosed
US-20080188448-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2008-08-07 US disclosed
US-20080188448-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2008-08-07 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 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 (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-20080188448-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC1, PGRMC2 EPHX1 1519/4885HPGD 79/4885KMT2A 1671/4885
US-20160319312-A1 SYNTHESIS METHOD FOR L-CYCLIC ALKYL AMINO ACID AND PHARMACEUTICAL COMPOSITION HAVING THEREOF ADH1B, BCAT2, BCAT1 EPHX1 2486/4885HPGD 92/4885KMT2A 730/4885

“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.