SCHEMBL6012976

SCHEMBL6012976

O=C(O)C(O)C(O)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LTA4H P09960 1/20 0.54
LAP3 P28838 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
LMNA P02545 3/20 0.49
HCAR2 Q8TDS4 1/20 0.49
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL8426058 1.00 ALDH1A1 (0.55) ALDH1A1LTA4HLAP3TDP1KMT2A
SCHEMBL6575848 0.94 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1KMT2A
SCHEMBL1600361 0.94 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1KMT2A
SCHEMBL366832 0.94 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1KMT2A
SCHEMBL14066236 0.94 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1KMT2A
Benzyl Alcohol SCHEMBL27898646 0.87 ALDH1A1 (0.53) ALDH1A1LTA4HLAP3TDP1KMT2A
SCHEMBL8424336 0.85 ALDH1A1 (0.56) ALDH1A1LTA4HLAP3TDP1KMT2A
SCHEMBL19853604 0.85 ALDH1A1 (0.52) ALDH1A1LTA4HLAP3TDP1KMT2A
SCHEMBL8424338 0.85 ALDH1A1 (0.56) ALDH1A1LTA4HLAP3TDP1KMT2A
SCHEMBL15449774 0.85 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621126-B Improved ezetimibe preparation method 重庆圣华曦药业股份有限公司 2023-07-25 CN claimed
CN-118307501-A Dihydrophenanthropyrrole compound, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-07-09 CN disclosed
CN-114621126-B Improved ezetimibe preparation method 重庆圣华曦药业股份有限公司 2023-07-25 CN disclosed
CN-114621126-A Improved preparation method of ezetimibe 重庆圣华曦药业股份有限公司 2022-06-14 CN disclosed
CN-107759778-A The preparation and application of a kind of polymalic acid and the high polymalic acid benzyl ester of crystallinity 中国人民解放军第四军医大学 2018-03-06 CN disclosed
US-9630905-B2 Amphiphilic macromolecules and methods of use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-04-25 US disclosed
CN-105111272-B 3-monouronic acid o-glycoside oleanane type and ursane type triterpenoid saponin derivative, as well as preparation method and application thereof 中国医学科学院药用植物研究所 2017-03-22 CN disclosed
US-20160068467-A1 AMPHIPHILIC MACROMOLECULES AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-03-10 US disclosed
US-7094862-B2 Method for preparing polyesters having intrachain free acid functions SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-08-22 US disclosed
US-20040127676-A1 Method for preparing polyesters having intrachain free acid functions IPSEN PHARMA S.A.S. (FR) 2004-07-01 US disclosed
US-5432267-A Inhibits tumor necrosis factor derivation by endotoxin DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
CN-1081681-A Amino sugar derivative DAIICHI SEIYAKU CO (JP) 1994-02-09 CN disclosed
EP-0563908-A1 Amino sugar derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-10-06 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 (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-20160068467-A1 AMPHIPHILIC MACROMOLECULES AND METHODS OF USE THEREOF ZYX, APOB, MSR1 ALDH1A1 3720/4885LTA4H 1360/4885LAP3 769/4885

“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.