SCHEMBL5400568

SCHEMBL5400568

COC(=O)c1ccc(OCCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.77
RAB9A P51151 2/20 0.73
PLA2G4B P0C869 2/20 0.66
TSHR P16473 2/20 0.63
TP53 P04637 1/20 0.63
PKM P14618 1/20 0.61
MAPK1 P28482 2/20 0.59
USP2 O75604 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
RARB P10826 3/20 0.58
HTT P42858 1/20 0.58
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL11862050 0.95 MAPT (0.86) MAPTRAB9APLA2G4BTSHRTP53
SCHEMBL2469151 0.93 MAPT (0.89) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6539224 0.90 MAPT (0.90) MAPTRAB9ATSHRPKMNPC1
SCHEMBL1796892 0.88 MAPT (0.79) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5054312 0.87 MAPT (0.85) MAPTRAB9APLA2G4BTSHRTP53
SCHEMBL1951546 0.87 MAPT (1.00) MAPTRAB9APKMNPC1SMN1; SMN2
SCHEMBL118037 0.87 PKM (0.77) PLA2G4BTSHRTP53PKMMAPK1
SCHEMBL24844734 0.86 MAPT (0.90) MAPTRAB9ATSHRPKMHTT
Benzene SCHEMBL27950703 0.86 MAPT (0.78) MAPTRAB9APLA2G4BTSHRTP53
SCHEMBL12921583 0.86 MAPT (0.77) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 US disclosed
US-20050049302-A1 Process for the preparation of dronedarone ISP INVESTMENTS LLC 2005-03-03 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-20050049302-A1 Process for the preparation of dronedarone CACNA1C, CACNA1A, KCNH1 MAPT 3576/4885RAB9A 71/4885PLA2G4B 1746/4885

“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.