SCHEMBL5494946

SCHEMBL5494946

COc1ccc(N(c2ccc(C=Cc3cccc(C)c3)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 6/20 0.82
NFE2L2 Q16236 3/20 0.56
APP P05067 1/20 0.56
TRPA1 O75762 1/20 0.54
CYP19A1 P11511 2/20 0.49
TUBB1 Q9H4B7 3/20 0.49
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49

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
SCHEMBL5494942 1.00 RELA (0.82) RELANFE2L2APPTRPA1CYP19A1
SCHEMBL16311931 0.93 RELA (0.69) RELANFE2L2APPCYP19A1TUBB1
SCHEMBL16167740 0.93 RELA (0.69) RELANFE2L2APPCYP19A1TUBB1
SCHEMBL10015726 0.93 RELA (0.69) RELANFE2L2APPCYP19A1TUBB1
SCHEMBL4400839 0.91 RELA (0.67) RELANFE2L2APPTRPA1CYP19A1
SCHEMBL12576253 0.91 RELA (0.67) RELANFE2L2APPTRPA1CYP19A1
SCHEMBL5494699 0.91 RELA (0.68) RELANFE2L2APPTRPA1CYP19A1
SCHEMBL5494696 0.91 RELA (0.68) RELANFE2L2APPTRPA1CYP19A1
SCHEMBL5499301 0.91 RELA (1.00) RELANFE2L2APPTRPA1CYP19A1
SCHEMBL5499297 0.91 RELA (1.00) RELANFE2L2APPTRPA1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276627-B2 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-02 US claimed
US-20060224017-A1 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-10-05 US claimed
US-7276627-B2 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-02 US disclosed
US-20060224017-A1 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-10-05 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-20060224017-A1 One pot sequential reactions and novel products produced thereby PNMT, CYP1A1, TERT RELA 1503/4885NFE2L2 446/4885APP 2291/4885

“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.