SCHEMBL2654537

SCHEMBL2654537

COC(=O)c1cc(OC(C)=O)c2cc(C)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ALPG P10696 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL643132 0.86 KDM4E (0.45) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL9903306 0.85 KDM4E (0.49) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL21438057 0.84 KDM4E (0.42) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL2653764 0.79 LMNA (0.53) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL2653455 0.79 AR (0.41) MAPTALDH1A1RECQLGCKTSHR
Hexane SCHEMBL21439386 0.78 MGLL (0.39) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL2653368 0.77 RAB9A (0.44) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL5222914 0.74 NOX1 (0.42) MAPTSMN1; SMN2POLBGCKTSHR
SCHEMBL643502 0.73 KDM4E (0.43) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL3778844 0.73 TOP1 (0.60) KDM4EGAAMAPTALDH1A1SMN1; SMN2

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-7709505-B2 Benzofuran derivatives, process for their preparation and intermediates thereof ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1578745-B1 BENZOFURAN DERIVATivES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2007-11-14 EP disclosed
US-20060058353-A1 Benzofuran derivatives, process for their preparation and intermediates thereof ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1578745-A1 BENZOFURAN DERIVATES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF Astrazeneca AB (SE) 2005-09-28 EP disclosed
WO-2004046139-A1 BENZOFURAN DERIVATES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2004-06-03 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-20060058353-A1 Benzofuran derivatives, process for their preparation and intermediates thereof GCK, PDK2, GCKR KDM4E 1766/4885GAA 108/4885MAPT 2616/4885

“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.