SCHEMBL3537007

SCHEMBL3537007

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.33
VCAM1 P19320 4/20 0.33
DGKA P23743 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGS2 P35354 2/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 2/20 0.30
KDM4E B2RXH2 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL3940182 0.98 KMT2A (0.39) KMT2AMEN1TSHRVCAM1DGKA
SCHEMBL8996230 0.98 KMT2A (0.39) KMT2AMEN1TSHRVCAM1DGKA
SCHEMBL8996129 0.98 KMT2A (0.39) KMT2AMEN1TSHRVCAM1DGKA
SCHEMBL3536100 0.94 KMT2A (0.41) KMT2AMEN1TSHRVCAM1ALDH1A1
SCHEMBL4953772 0.92 KMT2A (0.44) KMT2AMEN1TSHRVCAM1DGKA
SCHEMBL25495837 0.90 KMT2A (0.43) KMT2AMEN1TSHRVCAM1DGKA
SCHEMBL21049231 0.90 KMT2A (0.43) KMT2AMEN1TSHRVCAM1DGKA
SCHEMBL522462 0.90 KMT2A (0.43) KMT2AMEN1TSHRVCAM1DGKA
SCHEMBL17337909 0.87 KMT2A (0.48) KMT2AMEN1TSHRVCAM1DGKA
SCHEMBL20512156 0.84 TSHR (0.47) KMT2AMEN1TSHRVCAM1ALDH1A1

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 6 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
CN-1984871-A Process for preparing nitrooxy esters, nitrooxy thioesters, nitrooxy carbonates and nitrooxy thiocarbonates, intermediates useful in said process and preparation thereof NICOX SA (FR) 2007-06-20 CN 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-2006079610-A1 NITROOXY SARTAN DERIVATIVES AS ANGIOTENSIN II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES NICOX S.A. (FR) 2006-08-03 WO 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 KMT2A 2729/4885MEN1 3860/4885TSHR 2795/4885

“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.