SCHEMBL3704874

SCHEMBL3704874

CN(C)C(=O)CCCOc1cccc(C(O)CCNC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 2/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
PFKFB3 Q16875 1/20 0.44
CYP2D6 P10635 2/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL25823443 0.89 CACNA1B (0.48) CACNA1BSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL25821996 0.88 CACNA1B (0.47) CACNA1BSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL2204508 0.87 CACNA1B (0.43) CACNA1BSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL2205412 0.86 CACNA1B (0.47) CACNA1BSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL19291558 0.86 CACNA1B (0.47) CACNA1BSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL29818806 0.86 CACNA1B (0.47) CACNA1BSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL27996046 0.86 HPGD (0.51) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL4568896 0.85 CACNA1B (0.54) CACNA1BSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3968993 0.82 KDM4E (0.43) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL27996248 0.79 CYP2D6 (0.57) HPGDCYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 US disclosed
EP-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CACNA1B 4265/4885SMN1; SMN2 42/4885KDM4E 2349/4885

“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.