SCHEMBL23967381

SCHEMBL23967381

CCN(CC)C(=O)CCCCOC(=O)c1ccccc1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.60
TSHR P16473 7/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 6/20 0.47
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 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
SCHEMBL22163866 0.96 PTGS2 (0.58) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL23967382 0.91 PTGS2 (0.54) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL22163865 0.88 PTGS2 (0.62) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL9446603 0.84 PTGS2 (0.75) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL12715080 0.84 PTGS2 (0.75) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL22163864 0.84 PTGS2 (0.60) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL9796950 0.83 KDM4E (0.52) PTGS2TSHRALDH1A1LMNAHSD17B10
SCHEMBL27528077 0.83 TSHR (0.71) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL11985699 0.83 PTGS2 (0.72) PTGS2TSHRMAPK1TP53CYP3A4
SCHEMBL4730460 0.82 ALDH1A1 (0.72) PTGS2TSHRMAPK1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387950-A1 ACETYLSALICYLIC ACID DERIVATIVE AND APPLICATION THEREOF ZHEJIANG HANMAI PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
EP-3904335-A1 ACETYLSALICYLIC ACID DERIVATIVE AND APPLICATION THEREOF Zhang, Jing (CN) 2021-11-03 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-20210387950-A1 ACETYLSALICYLIC ACID DERIVATIVE AND APPLICATION THEREOF PTGS1, PTGIS, PTGS2 PTGS2 3/4885TSHR 3998/4885MAPK1 2494/4885

“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.