SCHEMBL3969178

SCHEMBL3969178

NC(CCO)c1cccc(OCCCCOCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 1/20 0.54
CFD P00746 1/20 0.48
TPSB2 P20231 1/20 0.48
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
NR4A2 P43354 1/20 0.40
MAOB P27338 1/20 0.40
TACR1 P25103 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39

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
SCHEMBL3964418 0.99 KMT2A (0.53) SMN1; SMN2KMT2ACFDTPSB2CYP4F2
SCHEMBL15137119 0.98 KMT2A (0.54) SMN1; SMN2KMT2ACFDTPSB2CYP4F2
SCHEMBL3964184 0.94 KMT2A (0.55) SMN1; SMN2KMT2ACFDTPSB2CYP4F2
SCHEMBL3972720 0.87 SMN1; SMN2 (0.69) SMN1; SMN2KMT2ACFDTPSB2CYP4F2
SCHEMBL3966532 0.85 KMT2A (0.52) SMN1; SMN2KMT2ACFDTPSB2CYP4F2
SCHEMBL29818949 0.84 KMT2A (0.52) SMN1; SMN2KMT2AMAOBTACR1
SCHEMBL3972169 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ACFDTPSB2KDM4E
SCHEMBL3967162 0.81 ALDH1A1 (0.47) SMN1; SMN2KMT2ACFDTPSB2KDM4E
SCHEMBL3964690 0.81 CYP1A2 (0.43) SMN1; SMN2KMT2ACFDTPSB2KDM4E
SCHEMBL3967907 0.81 TSHR (0.52) SMN1; SMN2KMT2AALDH1A1LMNA

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
US-8829244-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2014-09-09 US disclosed
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA, INC. (US) 2013-08-01 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-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SMN1; SMN2 42/4885KMT2A 3103/4885CFD 416/4885

“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.