SCHEMBL1892112

SCHEMBL1892112

COCCOn1cnc2cncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.44
CYP3A4 P08684 14/20 0.44
ALDH1A1 P00352 11/20 0.44
HSD17B10 Q99714 9/20 0.44
CYP2C19 P33261 9/20 0.44
CYP2C9 P11712 8/20 0.44
USP2 O75604 5/20 0.44
MAPK1 P28482 3/20 0.44
FDPS P14324 1/20 0.43
LTA4H P09960 1/20 0.38
TSHR P16473 6/20 0.38
CASP1 P29466 3/20 0.38
ALOX15 P16050 3/20 0.38
CASP7 P55210 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
CLK4 Q9HAZ1 4/20 0.37
GLA P06280 2/20 0.37
HDAC1 Q13547 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
SCHEMBL2894577 0.82 FDPS (0.40) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL1436456 0.82 FDPS (0.39) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL1398869 0.81 FDPS (0.41) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL888555 0.81 FDPS (0.41) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
Hydrochloric Acid SCHEMBL28215610 0.81 LTA4H (0.38) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL235438 0.76 LTA4H (0.56) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL13281305 0.76 FDPS (0.41) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL5495655 0.73 FDPS (0.42) CYP1A2CYP3A4ALDH1A1CYP2C19CYP2C9
SCHEMBL5440115 0.73 LTA4H (0.50) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL23398227 0.72 FDPS (0.50) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118335-A1 RNA Interference Mediated Inhibition Of Gene Expression Using Multifunctional Short Interfering Nucleic Acid (Multifunctional siNA) JADHAV VASANT 2011-05-19 US disclosed
US-7858769-B2 RNA interference mediated inhibition of gene expression using multifunctional short interfering nucleic acid (multifunctional siNA) SIRNA THERAPEUTICS, INC. (US) 2010-12-28 US disclosed
EP-1713915-B1 RNA INTERFERENCE MEDIATED INHIBITION OF GENE EXPRESSION USING MULTIFUNCTIONAL SHORT INTERFERING NUCLEIC ACID (MULTIFUNCTIONAL siNA) SIRNA THERAPEUTICS INC (US) 2009-12-16 EP disclosed
US-20080039412-A1 Rna Interference Mediated Inhibition of Gene Expression Using Multifunctional Short Interfering Nucleic Acid (Multifunctional Sina) SIRNA THERAPEUTICS, INC. (US) 2008-02-14 US disclosed
EP-1713915-A2 RNA INTERFERENCE MEDIATED INHIBITION OF GENE EXPRESSION USING MULTIFUNCTIONAL SHORT INTERFERING NUCLEIC ACID (MULTIFUNCTIONAL siNA) Sirna Therapeutics, Inc. (US) 2006-10-25 EP disclosed
US-20050233329-A1 Inhibition of gene expression using duplex forming oligonucleotides SIRNA THERAPEUTICS, INC. (US) 2005-10-20 US disclosed
WO-2005078097-A2 RNA INTERFERENCE MEDIATED INHIBITION OF GENE EXPRESSION USING MULTIFUNCTIONAL SHORT INTERFERING NUCLEIC ACID (Multifunctional siNA) SIRNA THERAPEUTICS, INC. (US) 2005-08-25 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 (3 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-20110118335-A1 RNA Interference Mediated Inhibition Of Gene Expression Using Multifunctional Short Interfering Nucleic Acid (Multifunctional siNA) SRRT, AGO2, SIN3A CYP1A2 4758/4885CYP3A4 4880/4885ALDH1A1 3122/4885
US-20050233329-A1 Inhibition of gene expression using duplex forming oligonucleotides SRRT, DDX21, DERA CYP1A2 4627/4885CYP3A4 4877/4885ALDH1A1 2992/4885
US-20080039412-A1 Rna Interference Mediated Inhibition of Gene Expression Using Multifunctional Short Interfering Nucleic Acid (Multifunctional Sina) SRRT, AGO2, SIN3A CYP1A2 4758/4885CYP3A4 4880/4885ALDH1A1 3122/4885

“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.