SCHEMBL17954208

SCHEMBL17954208

CCc1cccc(-c2ccc(OCc3ccccc3CO)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.47
PTGER4 P35408 4/20 0.46
PTGER3 P43115 1/20 0.46
FFAR1 O14842 5/20 0.46
AKR1B1 P15121 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CFD P00746 1/20 0.45
PTGS2 P35354 1/20 0.43
F2 P00734 1/20 0.43
GSTP1 P09211 1/20 0.43
PPARD Q03181 1/20 0.42
RXRA P19793 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
NR4A2 P43354 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL16631059 0.86 PTGER4 (0.44) BCL2PTGER4PTGER3FFAR1AKR1B1
SCHEMBL17954222 0.83 FFAR1 (0.52) BCL2FFAR1AKR1B1FFAR4PTGS2
SCHEMBL20799453 0.81 S1PR1 (0.48) PTGER4PTGER3FFAR1AKR1B1FFAR4
SCHEMBL17954313 0.78 FFAR1 (0.44) BCL2PTGER4PTGER3FFAR1AKR1B1
SCHEMBL17954243 0.78 NR1H4 (0.43) BCL2PTGER4PTGER3FFAR1AKR1B1
SCHEMBL17954209 0.77 TSHR (0.57) BCL2FFAR1AKR1B1FFAR4PTGS2
SCHEMBL17954211 0.74 FFAR1 (0.48) PTGER4FFAR1AKR1B1FFAR4F2
SCHEMBL12894971 0.74 BCL2 (0.62) BCL2PTGS2
SCHEMBL18102828 0.74 MRGPRX4 (0.62) BCL2PTGER4FFAR1AKR1B1FFAR4
SCHEMBL17954206 0.73 F2 (0.51) BCL2FFAR1F2PPARDNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
US-20170137814-A1 ORGANIC COMPOSITIONS TO TREAT APOC3-RELATED DISEASES SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2017-05-18 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-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 (2 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-20170137814-A1 ORGANIC COMPOSITIONS TO TREAT APOC3-RELATED DISEASES APOL1, APOB, LDLR BCL2 2663/4885PTGER4 4035/4885PTGER3 1399/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 BCL2 3251/4885PTGER4 4832/4885PTGER3 4703/4885

“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.