SCHEMBL2034084

SCHEMBL2034084

COc1ccc(C(OCc2cccc(CN=C=S)c2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.51
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
KIF11 P52732 3/20 0.38
KCNH2 Q12809 1/20 0.38
NAAA Q02083 1/20 0.36
LTA4H P09960 1/20 0.36
SLC6A1 P30531 2/20 0.36
SLC6A11 P48066 1/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL12539335 0.80 RAB9A (0.43) KIF11KCNH2LTA4HSLC6A1SLC6A11
SCHEMBL2029074 0.80 MAOB (0.49) KIF11KCNH2LTA4HRAB9ATP53
SCHEMBL28241152 0.79 LTA4H (0.52) KIF11KCNH2LTA4HSLC6A1SLC6A11
SCHEMBL16624711 0.79 GABRA1 (0.48) MIFKIF11KCNH2LTA4HSLC6A1
Hydrochloric Acid SCHEMBL30186367 0.78 LTA4H (0.50) KIF11KCNH2LTA4HSLC6A1SLC6A11
SCHEMBL16624613 0.78 MAOB (0.52) CYP3A4HPGDLTA4HRAB9ATP53
SCHEMBL12539760 0.77 ACP1 (0.45) ALDH1A1LTA4HRAB9ATP53PKM
SCHEMBL3982356 0.77 ACP1 (0.45) ALDH1A1LTA4HRAB9ATP53PKM
3-Methoxybenxyl Isothiocyanate SCHEMBL1551644 0.74 MIF (0.64) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL16631068 0.72 MAOB (0.47) RAB9ATP53PKMNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511260-B1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT UNIV GIFU (JP) 2015-07-29 EP disclosed
EP-2511260-B1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT UNIV GIFU (JP) 2015-07-29 EP disclosed
US-8633304-B2 Oligonucleotide derivative comprising an aromatic compound GIFU UNIVERSITY (JP) 2014-01-21 US disclosed
US-8633304-B2 Oligonucleotide derivative comprising an aromatic compound GIFU UNIVERSITY (JP) 2014-01-21 US disclosed
US-8633304-B2 Oligonucleotide derivative comprising an aromatic compound GIFU UNIVERSITY (JP) 2014-01-21 US disclosed
EP-2511260-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT Gifu University (JP) 2012-10-17 EP disclosed
US-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT GIFU UNIVERSITY (JP) 2012-09-27 US disclosed
US-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT GIFU UNIVERSITY (JP) 2012-09-27 US disclosed
WO-2011071078-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT 国立大学法人岐阜大学 (JP) 2011-06-16 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-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT NSUN2, SLCO2A1, ABCB7 MIF 4104/4885TRPA1 421/4885ALDH1A1 1265/4885

“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.