SCHEMBL19353545

SCHEMBL19353545

CNCCCOc1ccc(/C=C/c2cccc(F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.58
RELA Q04206 1/20 0.58
HTR1B P28222 1/20 0.50
APP P05067 10/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL19327367 0.84 HTR1B (0.71) RELAHTR1B
SCHEMBL19327366 0.84 HTR1B (0.71) RELAHTR1B
SCHEMBL19327354 0.81 NFE2L2 (0.58) NFE2L2RELAAPP
SCHEMBL19327353 0.81 NFE2L2 (0.58) NFE2L2RELAAPP
SCHEMBL16809146 0.76 HTR1B (0.66) HTR1B
SCHEMBL14401253 0.75 NFE2L2 (1.00) NFE2L2RELAAPPPTGS1
SCHEMBL30756752 0.75 HTR1B (0.61) HTR1B
SCHEMBL13272286 0.75 HTR1B (0.61) HTR1B
SCHEMBL5490778 0.75 NFE2L2 (1.00) NFE2L2RELAAPPPTGS1
SCHEMBL5490783 0.75 NFE2L2 (1.00) NFE2L2RELAAPPPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260126-A1 SQUALENE COMPOUNDS AS MODULATORS OF LDL-RECEPTOR EXPRESSION UNIV OXFORD INNOVATION LTD (GB) 2017-09-14 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-20170260126-A1 SQUALENE COMPOUNDS AS MODULATORS OF LDL-RECEPTOR EXPRESSION LDLR, NR1H2, SREBF1 NFE2L2 777/4885RELA 312/4885HTR1B 1308/4885

“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.