SCHEMBL17954221

SCHEMBL17954221

CCc1cc(CO)cc(-c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
NR4A2 P43354 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
MAOB P27338 4/20 0.50
ERN1 O75460 1/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
BCHE P06276 1/20 0.47
KDR P35968 1/20 0.46
FFAR1 O14842 1/20 0.46
PPARD Q03181 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CFD P00746 1/20 0.45
DHODH Q02127 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL17954206 0.87 F2 (0.51) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL20215166 0.86 KDR (0.52) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL17954331 0.83 NR4A2 (0.48) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL18102828 0.83 MRGPRX4 (0.62) NR4A2MRGPRX4MAOBFFAR4BCHE
SCHEMBL17954209 0.82 TSHR (0.57) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL3683352 0.81 MRGPRX4 (0.61) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL20799468 0.81 TSHR (0.50) CYP4F2CYP4A11NR4A2MRGPRX4ERN1
SCHEMBL379281 0.81 MAOB (0.67) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL2137838 0.79 MRGPRX4 (0.69) CYP4F2CYP4A11NR4A2MRGPRX4MAOB
SCHEMBL17954220 0.79 RXRA (0.55) MAOBTSHRSMN1; SMN2MEN1MAPT

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 CYP4F2 1695/4885CYP4A11 2193/4885NR4A2 1373/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 CYP4F2 4812/4885CYP4A11 4879/4885NR4A2 4515/4885

“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.