SCHEMBL3539641

SCHEMBL3539641

O=C(OCCCCI)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
ESR1 P03372 1/20 0.33
ELANE P08246 1/20 0.31
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL16838222 0.89 RECQL (0.38) RECQLESR1ELANE
SCHEMBL30220183 0.82 NAAA (0.48) ESR1
SCHEMBL30220173 0.82 NAAA (0.48) ESR1
SCHEMBL3539582 0.82 RECQL (0.34) RECQLESR1ELANESCN5ASCN9A
SCHEMBL15033720 0.79 MTOR (0.33) RECQL
SCHEMBL14451757 0.77 ALDH1A1 (0.34) RECQLESR1SCN5ASCN9ASCN10A
SCHEMBL3539485 0.77 PTGS2 (0.45)
SCHEMBL3691043 0.76 ALOX5 (0.34) RECQLESR1
SCHEMBL1401567 0.72 ALDH1A1 (0.52) RECQL
SCHEMBL15496910 0.71 RECQL (0.41) RECQLSCN5ASCN9ASCN10A

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-7723529-B2 Process for preparing nitrooxy esters, nitrooxy thioesters nitrooxy carbonates and nitrooxy thiocarbinates, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2010-05-25 US disclosed
US-20070238882-A1 Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof NICOX S.A. (FR) 2007-10-11 US disclosed
EP-1778617-A1 PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NicOx S.A. (FR) 2007-05-02 EP disclosed
WO-2006008196-A1 PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NICOX S.A. (FR) 2006-01-26 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 (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-20070238882-A1 Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof OTUB1, TET1, TET3 RECQL 4511/4885ESR1 2887/4885ELANE 1147/4885

“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.