SCHEMBL636115

SCHEMBL636115

CC(C(=O)OC(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL15834922 0.84 AAK1 (0.46) AAK1TDP1L3MBTL1KMT2AALDH1A1
SCHEMBL7724578 0.84 TDP1 (0.44) AAK1TDP1L3MBTL1KMT2AALDH1A1
SCHEMBL9292700 0.83 AAK1 (0.45) AAK1TDP1L3MBTL1KMT2AALDH1A1
SCHEMBL5562608 0.81 AAK1 (0.46) AAK1TDP1L3MBTL1KMT2AALDH1A1
SCHEMBL7735376 0.79 KMT2A (0.53) TDP1L3MBTL1KMT2AALDH1A1TSHR
SCHEMBL16453798 0.79 KMT2A (0.53) TDP1L3MBTL1KMT2AALDH1A1TSHR
SCHEMBL27981095 0.79 AAK1 (0.45) AAK1TDP1L3MBTL1KMT2AALDH1A1
SCHEMBL1397470 0.78 KMT2A (0.58) TDP1L3MBTL1KMT2AALDH1A1TSHR
SCHEMBL13158249 0.78 L3MBTL1 (0.50) AAK1TDP1L3MBTL1KMT2AALDH1A1
SCHEMBL12345528 0.77 L3MBTL1 (0.54) AAK1TDP1L3MBTL1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101312984-B Diphosphine ligand and transition metal complex using same TAKEDA PHARMACEUTICAL 2015-05-27 CN disclosed
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP disclosed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP disclosed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
CN-101312984-A Diphosphine ligand and transition metal complex using same TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-11-26 CN disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 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-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same MVD, C5, C1S AAK1 1808/4885TDP1 4708/4885L3MBTL1 3691/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S AAK1 1808/4885TDP1 4708/4885L3MBTL1 3691/4885

“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.