SCHEMBL23967348

SCHEMBL23967348

CNC(=O)COC(=O)c1ccccc1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
HSD17B10 Q99714 4/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
PTGS2 P35354 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
TSHR P16473 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 2/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL23967350 0.86 KDM4E (0.52) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL30873583 0.86 KDM4E (0.52) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL30873584 0.86 KDM4E (0.52) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL555269 0.83 KDM4E (0.64) KDM4EHSD17B10LMNACYP1A2CYP2C9
Dimethylamine SCHEMBL11757110 0.82 TSHR (0.61) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL9651440 0.82 SMN1; SMN2 (0.64) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL9856486 0.81 HSD17B10 (0.65) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL11985691 0.81 PTGS2 (0.68) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL2600810 0.81 PTGS2 (0.56) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL8587601 0.80 KDM4E (0.63) KDM4EHSD17B10LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677660-A Acetylsalicylic acid derivative and application thereof 张婧 2021-11-19 CN claimed
US-20210387950-A1 ACETYLSALICYLIC ACID DERIVATIVE AND APPLICATION THEREOF ZHEJIANG HANMAI PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
CN-113677660-A Acetylsalicylic acid derivative and application thereof 张婧 2021-11-19 CN 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 KDM4E 4300/4885HSD17B10 616/4885LMNA 3112/4885

“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.