SCHEMBL6700345

SCHEMBL6700345

CCC/C(=N/NC(=O)c1ccccc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.56
KDM4E B2RXH2 5/20 0.54
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 3/20 0.51
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
MEN1 O00255 2/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL6509700 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL6511019 0.88 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL6702680 0.88 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL5799998 0.86 MAPT (0.58) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL27178002 0.80 SMN1; SMN2 (0.76) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL27177999 0.80 SMN1; SMN2 (0.76) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL6509706 0.78 ALDH1A1 (0.55) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL7560081 0.77 L3MBTL1 (0.46) SMN1; SMN2MAPTALDH1A1GLAL3MBTL1
SCHEMBL6703692 0.76 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A
SCHEMBL5797662 0.76 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A

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-20040102649-A1 Water soluble chiral diphoshpines RHODIA CHIMIE (FR) 2004-05-27 US disclosed
US-20030225297-A1 Process for preparing chiral diphosphines RHODIA CHIMIE 2003-12-04 US disclosed
US-6646106-B1 Polymerizing chiral diphosphine having a C2 axis of symmetry, with one or several polymerizable monomers, said chiral diphosphine consisting of a chiral body bearing two identical functional groups RHODIA CHIMIE (FR) 2003-11-11 US disclosed
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 US disclosed
US-6166257-A METAL COMPLEX OF AN OPTICALLY ACTIVE BIS(1-PHOSPHA-2,3-DIPHENYL-4,5-DIMETHYLNORBORNADIENE) RHODIA CHIMIE (FR) 2000-12-26 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-20040102649-A1 Water soluble chiral diphoshpines ADRA1B, ADRB1, ADRA1A SMN1; SMN2 4587/4885KDM4E 3051/4885MAPT 3146/4885
US-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR SMN1; SMN2 2347/4885KDM4E 2971/4885MAPT 4315/4885

“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.