SCHEMBL25823443

SCHEMBL25823443

CNCCC(O)c1cccc(OCCCC(=O)N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NSD2 O96028 1/20 0.46
LMNA P02545 1/20 0.44
CYP2D6 P10635 3/20 0.43
PFKFB3 Q16875 1/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL25821996 0.90 CACNA1B (0.47) CACNA1BKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL3704874 0.89 CACNA1B (0.47) CACNA1BKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL19291558 0.88 CACNA1B (0.47) CACNA1BKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL29818806 0.88 CACNA1B (0.47) CACNA1BKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2205412 0.88 CACNA1B (0.47) CACNA1BKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL25823428 0.87 L3MBTL1 (0.49) KDM4EALDH1A1SMN1; SMN2NSD2LMNA
SCHEMBL4568896 0.87 CACNA1B (0.54) CACNA1BKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2204508 0.84 CACNA1B (0.43) CACNA1BKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL25820408 0.83 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2NSD2LMNA
SCHEMBL25818192 0.79 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CACNA1B 4210/4885KDM4E 2227/4885ALDH1A1 133/4885

“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.