SCHEMBL6136849

SCHEMBL6136849

CCOC(=O)c1cccc(Oc2ncccc2OCCCc2ccncc2O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.68
PDE4B Q07343 1/20 0.68
PDE4C Q08493 1/20 0.68
PDE4D Q08499 1/20 0.68
F10 P00742 3/20 0.42
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
DGAT2 Q96PD7 2/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
F2 P00734 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
LTB4R Q15722 1/20 0.38

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
SCHEMBL6136712 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DDGAT2
SCHEMBL6136699 0.81 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL6136773 0.81 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DNMT2
SCHEMBL5988800 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6136630 0.81 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6136814 0.81 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6136734 0.80 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6137099 0.79 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DDGAT2
SCHEMBL6136669 0.78 F10 (0.54) F10ICAM1SELEF2MEN1
SCHEMBL6136910 0.77 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DDGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120409-B1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2005-01-26 EP disclosed
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-16 US disclosed
EP-1120409-A1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2001-08-01 EP 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-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 PDE4A 16/4885PDE4B 13/4885PDE4C 52/4885

“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.