SCHEMBL4558711

SCHEMBL4558711

CCN1CCCCC1C[O]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIM1 P11309 1/20 0.35
DRD2 P14416 1/20 0.35
S1PR4 O95977 1/20 0.35

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
SCHEMBL5776683 0.93
SCHEMBL3265294 0.82 MAPK1 (0.45) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL6443709 0.81 ALDH1A1 (0.40) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL25226356 0.80 MAPK1 (0.44) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
Bromide SCHEMBL27935417 0.80 MAPK1 (0.44) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
Phosphine SCHEMBL27837842 0.80 MAPK1 (0.44) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL20093338 0.80 S1PR1 (0.44) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
Ammonia Solution, Strong SCHEMBL7851955 0.80 MAPK1 (0.44) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL1275000 0.80 S1PR1 (0.44) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL1274998 0.80 S1PR1 (0.44) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4338974-B2 2009-10-07 JP claimed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP claimed
JP-2004527499-A 2004-09-09 JP claimed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO claimed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR ALDH1A1 2894/4885L3MBTL1 3375/4885S1PR1 275/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR ALDH1A1 2221/4885L3MBTL1 3337/4885S1PR1 218/4885

“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.