SCHEMBL2229214

SCHEMBL2229214

CC(C)N(C(C)C)P(OCCC#N)OCc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 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
Butane SCHEMBL1530808 0.94 MRGPRX4 (0.31) MRGPRX4
SCHEMBL1530667 0.86 CA12 (0.38) MEN1KMT2A
SCHEMBL1530811 0.84 CA2 (0.36) MEN1KMT2A
SCHEMBL14038183 0.81 GUSB (0.33)
SCHEMBL4881259 0.80 MAOB (0.36)
SCHEMBL14038187 0.79 NPC1 (0.41) MEN1KMT2AHTT
SCHEMBL5597587 0.78 KDM4E (0.31) KMT2A
SCHEMBL13073522 0.78
SCHEMBL14038019 0.77 MAPT (0.42) POLBHTT
SCHEMBL14038103 0.76 ALDH1A1 (0.38) KMT2APOLBHTT

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
JP-4731781-B2 2011-07-27 JP 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
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
US-7186813-B1 Biomolecules having multiple attachment moieties for binding to a substrate surface NANOGEN RECOGNOMICS GMBH (DE) 2007-03-06 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 (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-20100286377-A1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE SSB, EPCAM, BPGM MRGPRX4 3185/4885MEN1 2197/4885KMT2A 3440/4885

“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.