SCHEMBL2467430

SCHEMBL2467430

CC(C)Oc1cc(C#N)cc(OC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.38
ALB P02768 2/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MGLL Q99685 3/20 0.36
ALDH1A1 P00352 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ALDH1A3 P47895 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL12127948 0.98 TTR (0.37) TTRALBCYP11B1CYP11B2MGLL
SCHEMBL23072580 0.92 ALDH1A1 (0.44) MGLLALDH1A1
SCHEMBL12127900 0.90 MGLL (0.42) TTRALBCYP11B1CYP11B2MGLL
SCHEMBL9987501 0.88 MGLL (0.42) TTRALBCYP11B1CYP11B2MGLL
SCHEMBL2656346 0.88 TTR (0.35) TTRALBCYP11B1CYP11B2MGLL
SCHEMBL12332162 0.88 GRIN2D (0.33) TTRALBCYP11B1CYP11B2MGLL
SCHEMBL12127371 0.88 KCNH2 (0.43) CYP11B1CYP11B2MGLLGAASMN1; SMN2
SCHEMBL1336198 0.84 FFAR4 (0.41) CYP11B1CYP11B2ALDH1A1GAAKMT2A
SCHEMBL25260446 0.84 GRIN2D (0.37) CYP11B1CYP11B2ALDH1A1GRIN2DGRIN3B
SCHEMBL1875078 0.84 KMT2A (0.51) ALDH1A1KMT2AGCK

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-20170022232-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS SCHRODI YANN (US) 2017-01-26 US disclosed
US-9273081-B2 Method for in-situ formation of metathesis catalysts ExxonMobil Product Solutions Company 2016-03-01 US disclosed
US-20150299235-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS ExxonMobil Product Solutions Company 2015-10-22 US disclosed
US-20130204026-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS MATERIA, INC. (US) 2013-08-08 US disclosed
WO-2011119778-A2 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS SCHRODI YANN (US) 2011-09-29 WO 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 (3 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-20150299235-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS CHRM1, ACSL1, LOXL1 TTR 4628/4885ALB 3774/4885CYP11B1 457/4885
US-20170022232-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS CHRM1, ACSL1, LOXL1 TTR 4628/4885ALB 3774/4885CYP11B1 457/4885
US-20130204026-A1 METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS CHRM1, ACSL1, LOXL1 TTR 4628/4885ALB 3774/4885CYP11B1 457/4885

“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.