SCHEMBL2260283

SCHEMBL2260283

COC(=O)c1ccc(OCCCOCc2ccccc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.48
HSP90AA1 P07900 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MET P08581 2/20 0.46
PARP15 Q460N3 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL29032416 0.94 RAB9A (0.48) MEN1KMT2AMAPTHSP90AA1HTT
SCHEMBL3191667 0.87 MAOB (0.58) MEN1KMT2ASMN1; SMN2NPC1KDM4E
SCHEMBL22907102 0.86 TDP1 (0.48) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL29032468 0.85 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1POLB
SCHEMBL22438767 0.84 MET (0.52) MEN1KMT2ASMN1; SMN2NPC1KDM4E
SCHEMBL29032384 0.84 PARP15 (0.48) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL12389201 0.84 THRA (0.55) MEN1KMT2AMAPTHSP90AA1HTT
SCHEMBL29032430 0.83 MEN1 (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7908891 0.83 FFAR4 (0.56) MEN1KMT2ASMN1; SMN2NPC1KDM4E
SCHEMBL21924287 0.82 MAOB (0.58) MEN1KMT2AMAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 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 (1 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MEN1 4480/4885KMT2A 2505/4885MAPT 463/4885

“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.