SCHEMBL17954206

SCHEMBL17954206

CCc1cccc(-c2cccc(OCc3cccc(CO)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.51
MRGPRX4 Q96LA9 3/20 0.51
NR4A2 P43354 1/20 0.51
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR1 O14842 2/20 0.48
PPARD Q03181 2/20 0.48
KDR P35968 1/20 0.46
SOD1 P00441 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAOB P27338 3/20 0.44
PRKCI P41743 1/20 0.44
BCL2 P10415 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43

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
SCHEMBL17954222 0.90 FFAR1 (0.52) F2MRGPRX4NR4A2SMN1; SMN2FFAR1
SCHEMBL17954209 0.89 TSHR (0.57) F2MRGPRX4NR4A2TSHRSMN1; SMN2
SCHEMBL17954221 0.87 CYP4F2 (0.51) F2MRGPRX4NR4A2TSHRSMN1; SMN2
SCHEMBL18102828 0.86 MRGPRX4 (0.62) F2MRGPRX4NR4A2FFAR1PPARD
SCHEMBL17954216 0.83 MRGPRX4 (0.50) F2MRGPRX4NR4A2TSHRSMN1; SMN2
SCHEMBL17954210 0.83 CYP4F2 (0.49) F2MRGPRX4TSHRSMN1; SMN2FFAR1
SCHEMBL12826421 0.82 PRKCI (0.60) TSHRPRKCIBCL2
SCHEMBL17954211 0.81 FFAR1 (0.48) F2MRGPRX4TSHRSMN1; SMN2FFAR1
SCHEMBL18165300 0.80 FFAR1 (0.67) MRGPRX4NR4A2TSHRSMN1; SMN2FFAR1
SCHEMBL9455033 0.79 MRGPRX4 (0.48) F2MRGPRX4NR4A2TSHRSMN1; SMN2

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 F2 4521/4885MRGPRX4 3255/4885NR4A2 1373/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 F2 4881/4885MRGPRX4 3832/4885NR4A2 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.