SCHEMBL436265

SCHEMBL436265

CCCCc1cc2cc(CCOC(N)=O)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALOX15 P16050 1/20 0.38
ACHE P22303 3/20 0.38
TLR8 Q9NR97 1/20 0.37
CYP2C8 P10632 1/20 0.37

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
SCHEMBL437855 0.82 F2 (0.43) S1PR1LMNATP53F2F10
SCHEMBL5225410 0.77 CA12 (0.47) S1PR1F2F10CA12CA2
SCHEMBL433953 0.74 STS (0.43) S1PR1LMNATP53F2F10
SCHEMBL18067895 0.74 S1PR1 (0.44) S1PR1F2F10TLR8CYP2C8
SCHEMBL3244824 0.72 TBXAS1 (0.51) TP53F2F10ALOX15
SCHEMBL12117962 0.72 MAPT (0.46) LMNATP53F2F10KDM4E
SCHEMBL12038075 0.72 F2 (0.44) S1PR1LMNATP53F2F10
SCHEMBL5673192 0.72 F2 (0.47) TP53F2F10KDM4ECA12
SCHEMBL284155 0.71 TLR8 (0.50) F2F10CA2ALOX15TLR8
SCHEMBL2330441 0.71 ALOX15 (0.58) LMNAF2F10KDM4EHSD17B10

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-8816103-B2 Process for the preparation of dronedarone SANOFI (FR) 2014-08-26 US disclosed
EP-2595978-A1 NOVEL PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2013-05-29 EP disclosed
US-20130131358-A1 Novel Process for the Preparation of Dronedarone SANOFI (FR) 2013-05-23 US disclosed
WO-2012010913-A1 NOVEL PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2012-01-26 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-20130131358-A1 Novel Process for the Preparation of Dronedarone CYP2F1, CYP3A4, CYP2D6 S1PR1 3666/4885LMNA 473/4885TP53 4736/4885

“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.