SCHEMBL17954254

SCHEMBL17954254

CC(C)OP(=O)(O)OCc1cc(CO)cc(-c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.46
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR4A2 P43354 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ERN1 O75460 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
HDAC4 P56524 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CFD P00746 1/20 0.39
F11 P03951 1/20 0.39
TPSB2 P20231 1/20 0.39
DHODH Q02127 1/20 0.39
MME P08473 1/20 0.39

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
SCHEMBL17954235 0.92 TSHR (0.44) NR1H4TSHRSMN1; SMN2NR4A2MRGPRX4
SCHEMBL17954280 0.89 NR1H4 (0.45) NR1H4TSHRSMN1; SMN2NR4A2MRGPRX4
SCHEMBL17954250 0.87 TSHR (0.45) TSHRCFDF11TPSB2
SCHEMBL20799468 0.86 TSHR (0.50) NR1H4TSHRSMN1; SMN2NR4A2MRGPRX4
SCHEMBL17954240 0.84 NR1H4 (0.45) NR1H4NR4A2FFAR4
SCHEMBL17954239 0.81 TSHR (0.44) NR1H4TSHRSMN1; SMN2
SCHEMBL17954233 0.81 TSHR (0.42) NR1H4TSHRSMN1; SMN2MRGPRX4CYP4F2
SCHEMBL17954238 0.81 TSHR (0.44) NR1H4TSHRSMN1; SMN2MRGPRX4FFAR4
SCHEMBL17954249 0.81 MRGPRX4 (0.42) NR1H4TSHRSMN1; SMN2NR4A2MRGPRX4
SCHEMBL17954243 0.78 NR1H4 (0.43) NR1H4NR4A2FFAR4CFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2021-05-18 US disclosed
US-10519446-B2 Organic compounds to treat hepatitis B virus NOVARTIS AG (CH) 2019-12-31 US disclosed
US-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 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 (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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 NR1H4 4379/4885TSHR 4263/4885SMN1; SMN2 2037/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 NR1H4 4379/4885TSHR 4263/4885SMN1; SMN2 2037/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 NR1H4 4366/4885TSHR 4247/4885SMN1; SMN2 2042/4885

“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.