SCHEMBL5083120

SCHEMBL5083120

O=C(O)CCC1CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.42
PHF8 Q9UPP1 4/20 0.42
KDM2A Q9Y2K7 4/20 0.42
KDM4C Q9H3R0 3/20 0.42
KDM7A Q6ZMT4 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
FOLH1 Q04609 1/20 0.36
HPGD P15428 1/20 0.35
KDM4A O75164 1/20 0.35
EPHX2 P34913 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
DGAT1 O75907 1/20 0.34
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APEX1 P27695 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
SCHEMBL301024 0.90
SCHEMBL672141 0.90 KDM5A (0.47) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL8920891 0.90 KDM5A (0.47) KDM5APHF8KDM2AKDM4CKDM7A
Water SCHEMBL15822499 0.87 KDM5A (0.46) KDM5APHF8KDM2AKDM4CKDM7A
Hydrochloric Acid SCHEMBL8026839 0.87
Bromide SCHEMBL15821114 0.87 KDM5A (0.46) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL2232212 0.86 KDM5A (0.36) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL28622817 0.86 KDM5A (0.47) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL28064583 0.83 HPGD (0.36) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL9860342 0.83 KDM5A (0.57) KDM5APHF8KDM2AKDM4CKDM7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110018540-B Stretched film and method for producing same 柯尼卡美能达株式会社 2022-06-14 CN disclosed
CN-110014679-B Method for producing stretched film 柯尼卡美能达株式会社 2021-09-14 CN disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
CN-101356156-B Aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2012-12-05 CN disclosed
CN-100443458-C Stereoselective synthesis of a 4,4-disubstituted cyclohexanepropanoic acid MERCK SHARP & DOHME (GB) 2008-12-17 CN disclosed
US-7411088-B2 Stereoselective synthesis of a 4,4-disubstituted cyclohexanepropanoic acid MERCK & CO., INC. (US) 2008-08-12 US disclosed
US-20070225520-A1 Stereoselective Synthesis of a 4,4-Disubstituted Cyclohexanepropanoic Acid MERCK SHARP & DOHME LLC 2007-09-27 US disclosed
EP-1718593-B1 STEREOSELECTIVE SYNTHESIS OF A 4,4-DISUBSTITUTED CYCLOHEXANEPROPANOIC ACID MERCK SHARP & DOHME (GB) 2007-07-25 EP disclosed
CN-1918106-A Stereoselective synthesis of a 4,4-disubstituted cyclohexanepropanoic acid MERCK SHARP & DOHME (GB) 2007-02-21 CN disclosed
EP-1718593-A1 STEREOSELECTIVE SYNTHESIS OF A 4,4-DISUBSTITUTED CYCLOHEXANEPROPANOIC ACID MERCK SHARP & DOHME LTD. (GB) 2006-11-08 EP disclosed
WO-2005080309-A1 STEREOSELECTIVE SYNTHESIS OF A 4,4-DISUBSTITUTED CYCLOHEXANEPROPANOIC ACID MERCK SHARP & DOHME LIMITED (GB) 2005-09-01 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-20070225520-A1 Stereoselective Synthesis of a 4,4-Disubstituted Cyclohexanepropanoic Acid AR, SRD5A2, SRD5A1 KDM5A 2104/4885PHF8 1865/4885KDM2A 1384/4885

“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.