SCHEMBL578461

SCHEMBL578461

CC(C)(C)OC(=O)c1ccc(OCCOCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
RAB9A P51151 1/20 0.54
MAOB P27338 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
PKM P14618 1/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
PARP10 Q53GL7 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
SRD5A2 P31213 1/20 0.46
PPARG P37231 3/20 0.45
PPARA Q07869 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
SCHEMBL6779534 0.88 MAOB (0.65) MAPTRAB9AMAOBNR4A1NR4A2
SCHEMBL25686475 0.85 MAPT (0.75) MAPTRAB9AMAOBNR4A1NR4A2
SCHEMBL23754729 0.84 MAPT (0.62) MAPTRAB9AADRB2ADRB1ADRB3
SCHEMBL1595091 0.83 L3MBTL1 (0.46) MAPTMAOBNR4A1NR4A2NR4A3
SCHEMBL2984321 0.82 MAOB (0.74) MAPTRAB9AMAOBNR4A1NR4A2
SCHEMBL24047115 0.82 NR4A2 (0.73) RAB9AMAOBNR4A1NR4A2NR4A3
SCHEMBL17921575 0.82 MAOB (0.50) MAPTRAB9AMAOBNR4A1NR4A2
SCHEMBL4839180 0.81 MAPT (0.71) MAPTRAB9AADRB2ADRB1ADRB3
SCHEMBL30244536 0.81 MAPT (0.53) MAPTRAB9APKML3MBTL1
SCHEMBL7270321 0.81 MAPT (0.53) MAPTRAB9APKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
EP-2565185-A1 [5,6]HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-06 EP disclosed
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-31 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 MAPT 4571/4885RAB9A 805/4885MAOB 4264/4885
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND BMP2, BMP4, SOST MAPT 4842/4885RAB9A 2636/4885MAOB 2308/4885

“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.