SCHEMBL30002240

SCHEMBL30002240

Cc1cccc(OCC(O)CN2CCCC2)c1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.81
ACE2 Q9BYF1 1/20 0.79
KMT2A Q03164 2/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
MAPT P10636 2/20 0.73
MEN1 O00255 1/20 0.73
TSHR P16473 3/20 0.71
GAA P10253 1/20 0.71
KDM4E B2RXH2 1/20 0.69
CYP2D6 P10635 2/20 0.68
HIF1A Q16665 1/20 0.68
ABCB1 P08183 4/20 0.67
TP53 P04637 2/20 0.64
ATM Q13315 1/20 0.64
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
HPGD P15428 1/20 0.63
CYP2C19 P33261 1/20 0.62

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
SCHEMBL20553614 1.00 SMN1; SMN2 (0.81) SMN1; SMN2ACE2KMT2AL3MBTL1MAPT
SCHEMBL21792720 0.99 ACE2 (0.82) SMN1; SMN2ACE2KMT2AL3MBTL1MAPT
SCHEMBL22639870 0.99 ACE2 (0.82) SMN1; SMN2ACE2KMT2AL3MBTL1MAPT
SCHEMBL30001091 0.99 ACE2 (0.82) SMN1; SMN2ACE2KMT2AL3MBTL1MAPT
SCHEMBL31537007 0.88 ACE2 (1.00) SMN1; SMN2ACE2L3MBTL1TSHRGAA
SCHEMBL31537006 0.88 ACE2 (1.00) SMN1; SMN2ACE2L3MBTL1TSHRGAA
SCHEMBL22875771 0.88 ACE2 (1.00) SMN1; SMN2ACE2L3MBTL1TSHRGAA
SCHEMBL24322624 0.88 L3MBTL1 (0.72) SMN1; SMN2ACE2KMT2AL3MBTL1MAPT
SCHEMBL16371035 0.88 L3MBTL1 (0.97) SMN1; SMN2ACE2KMT2AL3MBTL1MAPT
SCHEMBL30416315 0.88 L3MBTL1 (0.97) SMN1; SMN2ACE2KMT2AL3MBTL1MAPT

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
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 SMN1; SMN2 955/4885ACE2 449/4885KMT2A 1669/4885

“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.