SCHEMBL5337947

SCHEMBL5337947

O=C(O)C1=COc2cc3ccccc3cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PTPN7 P35236 1/20 0.39
IDO1 P14902 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ACMSD Q8TDX5 1/20 0.37
CA12 O43570 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36

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
SCHEMBL4204148 0.81 MTNR1A (0.42) ALDH1A1CYP1A2TSHR
SCHEMBL7817781 0.75 CA12 (0.37) POLBKMT2AMEN1TDP1CA12
SCHEMBL7818300 0.73 KDM4E (0.47) POLBMAPTKMT2AMEN1TDP1
SCHEMBL6685590 0.71 ALDH1A1 (0.42) MAPTKMT2ATDP1NPC1RAB9A
SCHEMBL7819754 0.71 KDM4E (0.44) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL903605 0.68 AHR (0.46) POLBCASP6MAPTTDP1SMN1; SMN2
SCHEMBL16779994 0.68 AHR (0.46) POLBCASP6MAPTTDP1SMN1; SMN2
Naphthalene SCHEMBL27604963 0.66 CYP2A6 (0.57) POLBMAPTKMT2AMEN1TDP1
SCHEMBL27632146 0.66 MTNR1A (0.33) POLBCASP6MAPTSMN1; SMN2NPSR1
SCHEMBL5477957 0.64 MTNR1A (0.41) POLBMAPTTDP1KDM4EALDH1A1

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-7202255-B2 Substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2007-04-10 US disclosed
EP-1587810-B1 NOVEL SUBSTITUTED 1,4|BENZODIOXINO 2,3-E|ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2006-11-08 EP disclosed
US-20060040930-A1 Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-02-23 US disclosed
EP-1587810-A1 NOVEL SUBSTITUTED 1,4]BENZODIOXINO 2,3-E]ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-10-26 EP disclosed
WO-2004037831-A1 NOVEL SUBSTITUTED[1,4]BENZODIOXINO[2,3-E]ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-06 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 (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-20060040930-A1 Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same CYP11B2, CYP2F1, CYP3A43 POLB 2793/4885CASP6 3511/4885MAPT 4487/4885

“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.