SCHEMBL17954249

SCHEMBL17954249

CC(C)OP(=O)(O)OCCc1ccc(-c2cccc(OCc3cccc(CO)c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
FFAR1 O14842 6/20 0.42
FFAR4 Q5NUL3 2/20 0.41
AKR1B1 P15121 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR4A2 P43354 1/20 0.40
FDFT1 P37268 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
SLC13A5 Q86YT5 2/20 0.38
HDAC4 P56524 1/20 0.38
SMPD1 P17405 1/20 0.38
ENPP2 Q13822 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PTPN5 P54829 1/20 0.38

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 0.89 TSHR (0.44) MRGPRX4FFAR1FFAR4AKR1B1TSHR
SCHEMBL17954240 0.85 NR1H4 (0.45) FFAR1FFAR4AKR1B1NR4A2S1PR1
SCHEMBL17954238 0.84 TSHR (0.44) MRGPRX4FFAR1FFAR4AKR1B1TSHR
SCHEMBL17954233 0.82 TSHR (0.42) MRGPRX4FFAR1TSHRSMN1; SMN2NR1H4
SCHEMBL17954254 0.81 NR1H4 (0.46) MRGPRX4FFAR4TSHRSMN1; SMN2NR4A2
SCHEMBL17954239 0.81 TSHR (0.44) TSHRSMN1; SMN2NR1H4PTPN5
SCHEMBL17954244 0.80 ACACB (0.37) FDFT1S1PR1S1PR3
SCHEMBL17954216 0.78 MRGPRX4 (0.50) MRGPRX4FFAR1FFAR4AKR1B1TSHR
SCHEMBL17954243 0.75 NR1H4 (0.43) FFAR1FFAR4AKR1B1NR4A2S1PR1
SCHEMBL18165311 0.73 FFAR1 (0.61) MRGPRX4FFAR1FFAR4AKR1B1TSHR

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 MRGPRX4 3862/4885FFAR1 4650/4885FFAR4 4785/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 MRGPRX4 3862/4885FFAR1 4650/4885FFAR4 4785/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 MRGPRX4 3832/4885FFAR1 4656/4885FFAR4 4787/4885

“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.