SCHEMBL2468547

SCHEMBL2468547

CCOC(=O)C(CC(=O)c1ccc(OC)c(C)c1)(NC(C)=O)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.45
THRB P10828 1/20 0.45
TAS1R3 Q7RTX0 7/20 0.44
TAS1R1 Q7RTX1 7/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
SCHEMBL2463688 0.86 ALDH1A1 (0.44) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL16142402 0.85 MAPK1 (0.47) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL7800751 0.83 ALDH1A1 (0.60) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL7801944 0.81 ALDH1A1 (0.50) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL2468553 0.81 TAS1R3 (0.45) ALDH1A1RECQLTAS1R3TAS1R1MEN1
SCHEMBL7799501 0.81 ALDH1A1 (0.49) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL7800755 0.79 ALDH1A1 (0.45) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL12912525 0.79 ALDH1A1 (0.52) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL2470708 0.79 PKM (0.51) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL5036126 0.78 ALDH1A1 (0.66) ALDH1A1RECQLPKMKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 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 (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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 ALDH1A1 843/4885RECQL 1584/4885PKM 2080/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 ALDH1A1 843/4885RECQL 1584/4885PKM 2080/4885

“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.