SCHEMBL3940182

SCHEMBL3940182

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DGKA P23743 1/20 0.34
VCAM1 P19320 2/20 0.34
PTGS2 P35354 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 3/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8996230 1.00 KMT2A (0.39) KMT2AMEN1DGKAVCAM1PTGS2
SCHEMBL8996129 1.00 KMT2A (0.39) KMT2AMEN1DGKAVCAM1PTGS2
SCHEMBL3537007 0.98 KMT2A (0.40) KMT2AMEN1DGKAVCAM1PTGS2
SCHEMBL3536100 0.92 KMT2A (0.41) KMT2AMEN1VCAM1LMNATSHR
SCHEMBL25495837 0.92 KMT2A (0.43) KMT2AMEN1DGKAVCAM1LMNA
SCHEMBL522462 0.92 KMT2A (0.43) KMT2AMEN1DGKAVCAM1LMNA
SCHEMBL21049231 0.92 KMT2A (0.43) KMT2AMEN1DGKAVCAM1LMNA
SCHEMBL4953772 0.90 KMT2A (0.44) KMT2AMEN1DGKAVCAM1LMNA
SCHEMBL17337909 0.86 KMT2A (0.48) KMT2AMEN1DGKAVCAM1LMNA
SCHEMBL7880107 0.85 VCAM1 (0.43) KMT2AMEN1DGKAVCAM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4596563-A2 ELECTROCHEMICAL BIOSENSOR COMPRISING TRANSITION METAL COMPLEX OR OXIDATION-REDUCTION POLYMER i-Sens, Inc. (KR) 2025-08-06 EP disclosed
US-20250244282-A1 ELECTROCHEMICAL BIOSENSOR COMPRISING TRANSITION METAL COMPLEX OR OXIDATION-REDUCTION POLYMER I SENS INC (KR) 2025-07-31 US disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
US-20090318432-A1 Nitrate esters of aminoalcohols SPEEDEL EXPERIMENTA AG (CH) 2009-12-24 US disclosed
CN-101522610-A Nitrate esters of amino alcohols SPEEDEL EXPERIMENTA AG (CH) 2009-09-02 CN disclosed
EP-2061751-A1 NITRATE ESTERS OF AMINOALCOHOLS Novartis Ag (CH) 2009-05-27 EP disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
WO-2008031811-A1 NITRATE ESTERS OF AMINOALCOHOLS SPEEDEL EXPERIMENTA AG (CH) 2008-03-20 WO disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 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-20250244282-A1 ELECTROCHEMICAL BIOSENSOR COMPRISING TRANSITION METAL COMPLEX OR OXIDATION-REDUCTION POLYMER APEX1, SPR, MT-ND6 KMT2A 1927/4885MEN1 3722/4885DGKA 4800/4885
US-20090318432-A1 Nitrate esters of aminoalcohols NOS2, NOS1, NOS3 KMT2A 3095/4885MEN1 3890/4885DGKA 2491/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 KMT2A 3329/4885MEN1 3438/4885DGKA 4020/4885

“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.