SCHEMBL6993840

SCHEMBL6993840

C#CCOCC(COCC#C)(COCC#C)NC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6998834 0.92
SCHEMBL6997722 0.90
SCHEMBL18227311 0.73 TSHR (0.36)
SCHEMBL6141036 0.72
SCHEMBL8848780 0.72 TSHR (0.34) MEN1ALDH1A1KMT2A
SCHEMBL20130263 0.72 MEN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL3183822 0.71 TSHR (0.34) MEN1ALDH1A1KMT2A
SCHEMBL21236739 0.70
SCHEMBL17256253 0.70 TSHR (0.41)
SCHEMBL19153446 0.69 KDM4E (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160195540-A1 Molecular Conjugate VENTANA MED SYST INC (US) 2016-07-07 US disclosed
US-9310373-B2 Molecular conjugate VENTANA MEDICAL SYSTEMS, INC. (US) 2016-04-12 US disclosed
US-20140205995-A1 MOLECULAR CONJUGATE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-07-24 US disclosed
US-8183355-B2 Method for the synthesis of oligonucleotide derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-05-22 US disclosed
US-20110245478-A1 Method for the Synthesis of Oligonucleotide Derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-10-06 US disclosed
US-7951926-B2 Method for the synthesis of oligonucleotide derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-05-31 US disclosed
US-20090124571-A1 METHOD FOR THE SYNTHESIS OF OLIGONUCLEOTIDE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-05-14 US disclosed
WO-2007125429-A2 METHOD FOR THE SYNTHESIS OF TRIAZOLE- CONTAINING OLIGONUCLEOTIDE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-11-08 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-20160195540-A1 Molecular Conjugate CA12, FCGR2A, CA14 MEN1 3359/4885ALDH1A1 41/4885KMT2A 181/4885
US-20090124571-A1 METHOD FOR THE SYNTHESIS OF OLIGONUCLEOTIDE DERIVATIVES MSN, RNGTT, DCLRE1B MEN1 2776/4885ALDH1A1 1935/4885KMT2A 2564/4885
US-20110245478-A1 Method for the Synthesis of Oligonucleotide Derivatives MSN, RNGTT, DCLRE1B MEN1 2776/4885ALDH1A1 1935/4885KMT2A 2564/4885

“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.