SCHEMBL3142935

SCHEMBL3142935

CC(C)(C)OC(=O)N1CCN(C(=O)C(O)Cc2ccc(O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 1/20 0.51
KDM1A O60341 1/20 0.47
HTT P42858 2/20 0.44
ATM Q13315 1/20 0.44
ESR2 Q92731 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
P2RX7 Q99572 6/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL16846211 0.89 HTT (0.55) MEN1KMT2APOLBKDM1AHTT
SCHEMBL16826180 0.89 HTT (0.55) MEN1KMT2APOLBKDM1AHTT
SCHEMBL7130405 0.86 HDAC8 (0.54) MEN1KMT2APOLBKDM1AHTT
SCHEMBL4156092 0.79 VEGFA (0.58) MEN1KMT2AKDM1AHTTESR2
SCHEMBL16825770 0.77 KDM1A (0.48) MEN1KMT2APOLBKDM1AHTT
SCHEMBL4681343 0.76 KDM1A (0.56) MEN1KMT2AKDM1AESR2LMNA
SCHEMBL4685294 0.76 KDM1A (0.56) MEN1KMT2AKDM1AESR2SMN1; SMN2
SCHEMBL2850833 0.76 KDM1A (0.48) MEN1KMT2APOLBKDM1AESR2
SCHEMBL9489224 0.76 P2RX7 (0.72) KMT2AP2RX7
SCHEMBL9489228 0.76 P2RX7 (0.72) KMT2AP2RX7

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-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MEN1 1851/4885KMT2A 1623/4885POLB 3851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MEN1 3512/4885KMT2A 2349/4885POLB 2808/4885

“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.