SCHEMBL7038843

SCHEMBL7038843

CC(=O)c1cc(O)c(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
MAPT P10636 4/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CTSV O60911 4/20 0.50
CTSL P07711 4/20 0.50
CYP19A1 P11511 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL27654714 0.90 CTSV (0.58) MAPTTDP1L3MBTL1CTSVCTSL
SCHEMBL13936617 0.86 MEN1 (0.56) MAPTSMN1; SMN2L3MBTL1CTSVCTSL
SCHEMBL15520248 0.86 CTSV (0.49) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL340310 0.86 MEN1 (0.56) MAPTSMN1; SMN2L3MBTL1CTSVCTSL
SCHEMBL4222265 0.85 CTSV (0.58) MAPTTDP1L3MBTL1CTSVCTSL
SCHEMBL21052613 0.83 MAOB (0.67) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL4140081 0.83 MAOB (0.67) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL31738283 0.82 CTSV (0.58) MAOBTDP1L3MBTL1CTSVCTSL
SCHEMBL8316504 0.80 CTSV (0.61) MAPTTDP1L3MBTL1CTSVCTSL
SCHEMBL31235944 0.79 CTSV (0.53) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013868-A1 C-3' protected monomeric nucleotides and synthesis of oligonucleotides on solid support LINDEN TECHNOLOGIES, INC., A DELAWARE CORPORATION 2003-01-16 US disclosed
US-20030009027-A1 C-3' protected monomeric nucleotides and synthesis of oligonucleotides on solid support LINDEN TECHNOLOGIES, INC., A DELAWARE CORPORATION 2003-01-09 US disclosed
US-6489466-B2 PRODUCING IMMOBILIZED OLIGONUCLEOTIDES ON A SUBSTRATE BY COVALENTLY ATTACHING A FIRST NUCLEOTIDE OR OLIGONUCLEOTIDE VIA A C-5' OXYGEN OF THE NUCLEOTIDE TO THE SUBSTRATE; C-3'OXYGEN PROTECTED WITH PHOTO- OR CHEMICAL-LABILE GROUPS LINDEN TECHNOLOGIES, INC. 2002-12-03 US disclosed
US-20010044530-A1 C-3' protected monomeric nucleotides and synthesis of oligonucleotides on solid support LINDEN TECHNOLOGIES, INC. 2001-11-22 US disclosed
WO-2001055451-A1 C-3' PROTECTED MONOMERIC NUCLEOTIDES AND SYNTHESIS OF OLIGONUCLEOTIDES ON SOLID SUPPORT LINDEN TECHNOLOGIES, INC. (US) 2001-08-02 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-20030013868-A1 C-3' protected monomeric nucleotides and synthesis of oligonucleotides on solid support RNGTT, BCDIN3D, NT5C3B MAOB 1445/4885MAPT 4793/4885CYP2C9 2957/4885
US-20010044530-A1 C-3' protected monomeric nucleotides and synthesis of oligonucleotides on solid support RNGTT, BCDIN3D, NT5C3B MAOB 1445/4885MAPT 4793/4885CYP2C9 2957/4885
US-20030009027-A1 C-3' protected monomeric nucleotides and synthesis of oligonucleotides on solid support RNGTT, BCDIN3D, NT5C3B MAOB 1445/4885MAPT 4793/4885CYP2C9 2957/4885

“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.