SCHEMBL742811

SCHEMBL742811

O=C(O)c1coc(CO)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.39
HCAR2 Q8TDS4 2/20 0.37
KDM4E B2RXH2 3/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
ACMSD Q8TDX5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RY2 P41231 1/20 0.36
HIF1A Q16665 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
PTPN1 P18031 1/20 0.34
NAPRT Q6XQN6 2/20 0.33
LMNA P02545 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FBP1 P09467 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL1811036 0.82 CES1 (0.38) CES1KDM4EALOX15TSHRACMSD
SCHEMBL344751 0.82 ALDH1A1 (0.47) TSHRHDAC6LMNAALDH1A1FBP1
SCHEMBL1166830 0.82 FPR2 (0.42) HDAC6ALDH1A1HRH3
SCHEMBL3590995 0.82 CES1 (0.38) CES1KDM4EALOX15TSHRACMSD
SCHEMBL1972922 0.82 CES1 (0.38) CES1KDM4EALOX15TSHRACMSD
SCHEMBL1760523 0.82 HCAR2 (0.39) CES1HCAR2KDM4EALOX15TSHR
SCHEMBL744062 0.82 CES1 (0.38) CES1KDM4EALOX15TSHRACMSD
SCHEMBL18782173 0.79 CES1 (0.39) CES1KDM4EALOX15TSHRACMSD
SCHEMBL16011738 0.79 CES1 (0.39) CES1KDM4EALOX15TSHRACMSD
SCHEMBL18782175 0.79 HCAR2 (0.42) CES1HCAR2KDM4EALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101032-A1 EXATECAN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES THEREOF ALX Oncology Inc. 2025-03-27 US disclosed
CN-118251395-A Esatitecan derivatives and antibody-drug conjugates thereof ALX肿瘤学股份有限公司 2024-06-25 CN disclosed
EP-4334322-A1 EXATECAN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES THEREOF ALX Oncology Inc. (US) 2024-03-13 EP disclosed
CN-117486873-A Fluorophenyl piperidone compound and derivative and pharmaceutical application thereof 中国人民解放军空军军医大学 2024-02-02 CN disclosed
WO-2022236136-A1 EXATECAN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES THEREOF ALX Oncology Inc. (US) 2022-11-10 WO disclosed
CN-102414207-B Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-09-30 CN disclosed
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
CN-102803237-B Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2014-09-24 CN disclosed
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN disclosed
CN-102803237-A Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2012-11-28 CN disclosed
CN-102414207-A Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2012-04-11 CN disclosed
EP-2430006-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN disclosed
WO-2010130944-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 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-20250101032-A1 EXATECAN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES THEREOF CTSB, CTSE, CTSD CES1 680/4885HCAR2 1493/4885KDM4E 1224/4885

“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.