SCHEMBL5058405

SCHEMBL5058405

COC(=O)c1ccc(CN2CCOCC2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
MAPK1 P28482 2/20 0.55
HCRTR1 O43613 1/20 0.54
HCRTR2 O43614 1/20 0.54
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 2/20 0.48
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK4 Q16654 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
Hydrochloric Acid SCHEMBL5054616 0.99 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL13638974 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL1013959 0.86 HTT (0.59) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL30230313 0.86 HTT (0.62) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL17078753 0.85 HDAC1 (0.47) SMN1; SMN2MAPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL12858369 0.85 HCRTR1 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL13161998 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL11921364 0.83 HTT (0.55) SMN1; SMN2ALDH1A1KDM4EHTTHIF1A
SCHEMBL17478866 0.83 HCRTR1 (0.56) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL2774659 0.83 ALDH1A1 (0.59) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 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 (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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 SMN1; SMN2 4435/4885MAPK1 1347/4885HCRTR1 4884/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 SMN1; SMN2 4435/4885MAPK1 1347/4885HCRTR1 4884/4885

“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.