SCHEMBL17954207

SCHEMBL17954207

CCc1ccc2c(c1)OCc1cc(COCc3cccc(CO)c3)ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.37
ACHE P22303 1/20 0.37
ROCK2 O75116 15/20 0.36
AKR1B1 P15121 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
ROCK1 Q13464 3/20 0.35
GAA P10253 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL17954215 0.88 MAOB (0.48) ROCK2MAPTGAA
SCHEMBL17954212 0.88 AKR1B1 (0.40) PRF1ACHEROCK2AKR1B1MAPT
SCHEMBL20216036 0.84 ROCK2 (0.38) PRF1ACHEROCK2AKR1B1ROCK1
SCHEMBL16631400 0.82 ROCK2 (0.40) ROCK2AKR1B1MAPTTP53POLB
SCHEMBL17954236 0.81 ROCK2 (0.39) ROCK2AKR1B1ROCK1
SCHEMBL9980133 0.81 PARP1 (0.44) ROCK2AKR1B1MAPTPOLBGAA
SCHEMBL20101407 0.80 PRF1 (0.33) PRF1ACHEROCK2AKR1B1ROCK1
SCHEMBL16624701 0.79 ROCK2 (0.38) ROCK2ROCK1
SCHEMBL30529078 0.75 AKR1B1 (0.56) PRF1ACHEROCK2AKR1B1MAPT
SCHEMBL20788480 0.75 AKR1B1 (0.56) PRF1ACHEROCK2AKR1B1MAPT

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 PRF1 4363/4885ACHE 2769/4885ROCK2 2524/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 PRF1 2216/4885ACHE 4784/4885ROCK2 2174/4885

“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.