SCHEMBL17784348

SCHEMBL17784348

O=C(c1ccccc1)C(O)c1ccccc1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.57
CES1 P23141 4/20 0.57
LMNA P02545 4/20 0.57
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
MDM2 Q00987 1/20 0.40
TSHR P16473 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
MAPK1 P28482 1/20 0.38
KMO O15229 1/20 0.37
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL38662145 0.82 LMNA (0.52) CES2CES1LMNATDP1L3MBTL1
SCHEMBL17784363 0.80 LMNA (0.47) CES2CES1LMNATDP1L3MBTL1
SCHEMBL7763783 0.78 CES2 (0.59) CES2CES1LMNATDP1L3MBTL1
SCHEMBL29185031 0.78 CES2 (0.49) CES2CES1LMNATDP1L3MBTL1
SCHEMBL8591841 0.77 CES2 (0.57) CES2CES1LMNATDP1L3MBTL1
SCHEMBL27517569 0.77 LMNA (0.57) CES2CES1LMNATDP1L3MBTL1
SCHEMBL959019 0.77 CES2 (0.57) CES2CES1LMNATDP1L3MBTL1
SCHEMBL10781088 0.77 LMNA (0.57) CES2CES1LMNATDP1L3MBTL1
SCHEMBL9744991 0.77 CES2 (0.57) CES2CES1LMNATDP1L3MBTL1
SCHEMBL9805372 0.76 LMNA (0.55) CES2CES1LMNATDP1L3MBTL1

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-9629830-B2 EphA4 inhibitors as neuroprotective agents THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-04-25 US disclosed
US-20160152618-A1 EphA4 INHIBITORS AS NEUROPROTECTIVE AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-06-02 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 (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-20160152618-A1 EphA4 INHIBITORS AS NEUROPROTECTIVE AGENTS EPHA4, EPHA1, EPHA7 CES2 949/4885CES1 1131/4885LMNA 3601/4885

“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.