SCHEMBL5085548

SCHEMBL5085548

Cc1cc2oc(C(=O)O)cc(=O)c2cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
AKR1B1 P15121 1/20 0.53
KDM4E B2RXH2 2/20 0.51
CSNK2A2 P19784 2/20 0.51
CSNK2B P67870 2/20 0.51
CSNK2A1 P68400 2/20 0.51
USP2 O75604 1/20 0.51
PTGS1 P23219 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
MCL1 Q07820 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL31081384 1.00 ALDH1A1 (0.59) ALDH1A1AKR1B1KDM4ECSNK2A2CSNK2B
SCHEMBL5559080 0.87 POLB (0.59) ALDH1A1AKR1B1KDM4ECSNK2A2CSNK2B
SCHEMBL6190746 0.87 ALDH1A1 (0.66) ALDH1A1AKR1B1KDM4ECSNK2A2CSNK2B
SCHEMBL22617287 0.81 MAOB (0.68) AKR1B1CSNK2A2CSNK2BCSNK2A1KMT2A
SCHEMBL6331018 0.81 ALDH1A1 (0.59) ALDH1A1AKR1B1KDM4ECSNK2A2CSNK2B
SCHEMBL6329297 0.81 KDM4E (0.58) ALDH1A1AKR1B1KDM4ECSNK2A2CSNK2B
SCHEMBL7029495 0.80 ALDH1A1 (0.46) ALDH1A1AKR1B1KDM4ECSNK2A2CSNK2B
SCHEMBL1818472 0.79 PIM1 (0.47) ALDH1A1KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL6332065 0.78 ALDH1A1 (0.59) ALDH1A1AKR1B1KDM4ECSNK2A2CSNK2B
SCHEMBL11077939 0.77 KDM4E (0.54) ALDH1A1AKR1B1KDM4ECSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO claimed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US claimed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 WO claimed
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 US disclosed
CN-114401952-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-04-26 CN disclosed
EP-3962899-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 EP disclosed
WO-2020223536-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 WO disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 WO disclosed
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 US disclosed
US-20050187387-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-08-25 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 (3 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 ALDH1A1 2000/4885AKR1B1 384/4885KDM4E 1065/4885
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ALDH1A1 3472/4885AKR1B1 1312/4885KDM4E 4640/4885
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R ALDH1A1 1308/4885AKR1B1 1927/4885KDM4E 2305/4885

“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.