SCHEMBL16624846

SCHEMBL16624846

COc1ccc(C(OCc2ccc(-c3cccc(CO)c3)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
CHRM3 P20309 2/20 0.40
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
LTA4H P09960 1/20 0.39
BCL2 P10415 1/20 0.39
MGLL Q99685 1/20 0.39
CASR P41180 1/20 0.39
PRKCI P41743 1/20 0.39
FYN P06241 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
SCHEMBL16624618 0.91 FFAR1 (0.48) RAB9AFFAR1PPARDANO1BCL2
SCHEMBL16624842 0.90 RAB9A (0.46) NPC1RAB9AFFAR1PPARDBCL2
SCHEMBL12539335 0.88 RAB9A (0.43) NPC1RAB9ACHRM3LTA4H
SCHEMBL2367563 0.87 BACE1 (0.42) BACE1NPC1RAB9APPARDADORA3
SCHEMBL17954312 0.87 FFAR1 (0.48) RAB9AFFAR1PPARDANO1BCL2
SCHEMBL3862154 0.86 LTA4H (0.45) NPC1RAB9ACHRM3LTA4H
SCHEMBL16618237 0.85 MAOB (0.47) FFAR1PPARDANO1
SCHEMBL17954313 0.85 FFAR1 (0.44) RAB9AFFAR1PPARDANO1BCL2
SCHEMBL17954319 0.82 FFAR1 (0.47) NPC1RAB9AFFAR1PPARDANO1
SCHEMBL28241152 0.82 LTA4H (0.52) NPC1RAB9ACHRM3ABCB1LTA4H

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 16 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
EP-3052107-B1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2018-05-02 EP 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
WO-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 BACE1 4537/4885NPC1 1953/4885RAB9A 1149/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 BACE1 4537/4885NPC1 1953/4885RAB9A 1149/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 BACE1 4547/4885NPC1 1992/4885RAB9A 1186/4885

“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.