SCHEMBL2231232

SCHEMBL2231232

CCOC(=O)CCCCCOP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 3/20 0.33
DNM1 Q05193 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
EPHX2 P34913 5/20 0.32
USP2 O75604 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
SCHEMBL14570439 0.89 DGKA (0.40) DGKAALDH1A1TDP1MAPTCYP3A4
SCHEMBL9152252 0.88 TSHR (0.35) ALDH1A1TSHRKMT2A
SCHEMBL14038139 0.86 DGKA (0.42) DGKACYP1A2ALDH1A1ALOX15TDP1
SCHEMBL16328978 0.85
SCHEMBL19008194 0.85 MEN1 (0.35) KMT2AGAAMEN1
SCHEMBL5597403 0.85 ALDH1A1 (0.39) CYP1A2ALDH1A1ALOX15TDP1MAPT
SCHEMBL1501122 0.85 ALDH1A1 (0.39) CYP1A2ALDH1A1ALOX15TDP1MAPT
SCHEMBL17099774 0.84 DGKA (0.34) DGKACYP1A2ALDH1A1ALOX15TDP1
SCHEMBL13675273 0.83
SCHEMBL13073086 0.81 MCL1 (0.32)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731781-B2 2011-07-27 JP claimed
US-7833715-B1 Biomolecules having multiple attachment moieties for binding to a substrate surface NANOGEN RECOGNOMICS GMBH (DE) 2010-11-16 US claimed
US-20100286377-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH 2010-11-11 US claimed
EP-1257695-B1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH (DE) 2007-03-07 EP claimed
EP-1257695-A4 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH (DE) 2005-03-02 EP claimed
JP-2003521680-A 2003-07-15 JP claimed
EP-1257695-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE Nanogen Recognomics GmbH (DE) 2002-11-20 EP claimed
WO-2001051689-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH (DE) 2001-07-19 WO claimed
WO-2022115799-A1 RADIOPHARMACEUTICAL CONJUGATES TARGETING GUANYLYL CYCLASE C, AND COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. (US) 2022-06-02 WO disclosed
US-8067581-B2 Biomolecules having multiple attachment moieties for binding to a substrate surface SANOFI-AVENTIS S.A. (DE) 2011-11-29 US disclosed
US-20110201080-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE SANOFI-AVENTIS S.A. (FR) 2011-08-18 US disclosed
US-7833715-B1 Biomolecules having multiple attachment moieties for binding to a substrate surface NANOGEN RECOGNOMICS GMBH (DE) 2010-11-16 US disclosed
US-7833715-B1 Biomolecules having multiple attachment moieties for binding to a substrate surface NANOGEN RECOGNOMICS GMBH (DE) 2010-11-16 US disclosed
US-20100286377-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH 2010-11-11 US disclosed
EP-1309730-B1 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES NANOGEN RECOGNOMICS GMBH (DE) 2008-11-26 EP disclosed
EP-1309730-B1 NEW HYDRAZIDE BUILDING BLOCKS AND HYDRAZIDE MODIFIED BIOMOLECULES NANOGEN RECOGNOMICS GMBH (DE) 2008-11-26 EP disclosed
EP-1257695-B1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH (DE) 2007-03-07 EP disclosed
EP-1257695-B1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH (DE) 2007-03-07 EP disclosed
US-7186813-B1 Biomolecules having multiple attachment moieties for binding to a substrate surface NANOGEN RECOGNOMICS GMBH (DE) 2007-03-06 US disclosed
US-7129229-B2 Hydrazide building blocks and hydrazide modified biomolecules NANOGEN RECOGNOMICS GMBH (DE) 2006-10-31 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 (2 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-20110201080-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE RNGTT, PNKP, MTAP DGKA 2860/4885CYP1A2 4751/4885ALDH1A1 3680/4885
US-20100286377-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE SSB, EPCAM, BPGM DGKA 4382/4885CYP1A2 4492/4885ALDH1A1 1344/4885

“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.