SCHEMBL3665405

SCHEMBL3665405

COC(=O)CCCCCCNC(=O)c1c(C)oc(-c2ccccc2)c1-c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
APAF1 O14727 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NLRP3 Q96P20 1/20 0.47
HDAC1 Q13547 9/20 0.46
HDAC6 Q9UBN7 9/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.41
HDAC4 P56524 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
SCHEMBL3663483 1.00 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTHTTAPAF1
SCHEMBL12791142 0.93 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTHTTAPAF1
SCHEMBL12791258 0.93 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTHTTAPAF1
SCHEMBL3664868 0.89 HDAC6 (0.43) SMN1; SMN2LMNAMAPTHTTAPAF1
SCHEMBL3670663 0.89 HDAC6 (0.43) SMN1; SMN2LMNAMAPTHTTAPAF1
SCHEMBL6521901 0.84 ALDH1A1 (0.43) SMN1; SMN2LMNAMAPTHTTAPAF1
SCHEMBL3667325 0.83 HDAC6 (0.49) SMN1; SMN2LMNAALDH1A1HDAC1HDAC6
SCHEMBL3666029 0.83 HDAC6 (0.49) SMN1; SMN2LMNAALDH1A1HDAC1HDAC6
SCHEMBL12791254 0.80 HDAC6 (0.45) LMNAALDH1A1HDAC1HDAC6HDAC3
SCHEMBL12791262 0.80 HDAC6 (0.45) LMNAALDH1A1HDAC1HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
EP-2240461-A1 SUBSTITUTED FURANS AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-20 EP disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 WO disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 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-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE XDH, TXN2, FABP3 SMN1; SMN2 1381/4885LMNA 443/4885MAPT 4648/4885

“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.