SCHEMBL17954222

SCHEMBL17954222

CCc1cccc(-c2ccc(OCc3cccc(CO)c3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.52
F2 P00734 3/20 0.51
AKR1B1 P15121 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
PPARD Q03181 2/20 0.49
BCL2 P10415 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
FYN P06241 1/20 0.47
NR4A2 P43354 1/20 0.47
PRKCI P41743 1/20 0.46
PTGS2 P35354 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
GSTP1 P09211 1/20 0.44
PTPRC P08575 1/20 0.44

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
SCHEMBL17954211 0.91 FFAR1 (0.48) FFAR1F2AKR1B1FFAR4TP53
SCHEMBL17954206 0.90 F2 (0.51) FFAR1F2PPARDBCL2NR4A2
SCHEMBL17954209 0.87 TSHR (0.57) FFAR1F2AKR1B1FFAR4PPARD
SCHEMBL12585458 0.86 GSTP1 (0.58) FFAR1F2AKR1B1FFAR4PPARD
SCHEMBL17954208 0.83 BCL2 (0.47) FFAR1F2AKR1B1FFAR4PPARD
SCHEMBL4448605 0.82 FFAR1 (0.61) FFAR1AKR1B1FFAR4PPARDNR1H4
SCHEMBL12826421 0.81 PRKCI (0.60) BCL2FYNPRKCIPTGS2TP53
SCHEMBL18165305 0.80 FFAR1 (0.77) FFAR1AKR1B1FFAR4
SCHEMBL17954214 0.80 CYP4F2 (0.53) FFAR1F2FYNTP53PKM
SCHEMBL3918360 0.80 LMNA (0.61) F2PTGS2TP53PKMNFKB1

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 FFAR1 1880/4885F2 4521/4885AKR1B1 432/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 FFAR1 4656/4885F2 4881/4885AKR1B1 4224/4885

“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.