SCHEMBL17954331

SCHEMBL17954331

[2H]Cc1cc(CO)cc(-c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
ERN1 O75460 1/20 0.47
MAOB P27338 4/20 0.47
KDR P35968 1/20 0.46
PTGER4 P35408 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
BCHE P06276 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
SYK P43405 1/20 0.43
CFD P00746 1/20 0.43
DHODH Q02127 1/20 0.43
FFAR1 O14842 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
SCHEMBL20215166 0.91 KDR (0.52) NR4A2MRGPRX4CYP4F2CYP4A11ERN1
SCHEMBL17954221 0.83 CYP4F2 (0.51) NR4A2MRGPRX4CYP4F2CYP4A11ERN1
SCHEMBL17954330 0.81 FFAR4 (0.51) NR4A2MRGPRX4ERN1MAOBPTGER4
SCHEMBL17954333 0.81 TSHR (0.40) TSHRSMN1; SMN2DHODH
SCHEMBL3683352 0.78 MRGPRX4 (0.61) NR4A2MRGPRX4CYP4F2CYP4A11MAOB
SCHEMBL12635690 0.78 MAOB (0.60) NR4A2MRGPRX4CYP4F2CYP4A11MAOB
SCHEMBL379281 0.78 MAOB (0.67) NR4A2MRGPRX4CYP4F2CYP4A11MAOB
SCHEMBL2137838 0.76 MRGPRX4 (0.69) NR4A2MRGPRX4CYP4F2CYP4A11MAOB
SCHEMBL20799468 0.76 TSHR (0.50) NR4A2MRGPRX4CYP4F2CYP4A11ERN1
SCHEMBL29462055 0.74 CYP4F2 (0.74) NR4A2CYP4F2CYP4A11MAOBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 NR4A2 4515/4885MRGPRX4 3832/4885CYP4F2 4812/4885

“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.