SCHEMBL2465563

SCHEMBL2465563

CCC(C)OC(=O)C(CCOC1CCCCO1)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CREBBP Q92793 1/20 0.31
GCK P35557 1/20 0.30
POLB P06746 1/20 0.30

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
Butane SCHEMBL81923 0.85 KMT2A (0.39) KMT2AMEN1CTSSCTSKCREBBP
SCHEMBL86959 0.81 PKM (0.38) KMT2AMEN1CREBBP
SCHEMBL13851954 0.75 MEN1 (0.39) KMT2AMEN1CTSSCTSKCREBBP
SCHEMBL81466 0.73 MEN1 (0.39) KMT2AMEN1CTSSCTSKCREBBP
SCHEMBL9853438 0.71 MAPT (0.38) KMT2AMEN1CTSSCTSK
SCHEMBL187301 0.71 MEN1 (0.34) KMT2AMEN1
SCHEMBL13851956 0.70 MEN1 (0.35) KMT2AMEN1CTSSCTSK
SCHEMBL11384796 0.69 MEN1 (0.43) KMT2AMEN1CREBBP
SCHEMBL3959022 0.69 EPHX1 (0.51) KMT2AMEN1CTSSCTSK
SCHEMBL7622062 0.68 MEN1 (0.44) KMT2AMEN1

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-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
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
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 KMT2A 1823/4885MEN1 2056/4885CTSS 4306/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 KMT2A 1823/4885MEN1 2056/4885CTSS 4306/4885

“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.