SCHEMBL2653597

SCHEMBL2653597

Cc1cc2c(OCC(C)C)cc(C(=O)O)cc2o1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.41
MAX P61244 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
XDH P47989 1/20 0.39
EP300 Q09472 3/20 0.38
GCK P35557 5/20 0.38
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER1 P34995 2/20 0.36
PDE4B Q07343 1/20 0.36
HIF1A Q16665 1/20 0.35
KCNH2 Q12809 3/20 0.35

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
SCHEMBL2653455 0.87 AR (0.41) MYCMAXXDHGCKPDE4B
SCHEMBL2653534 0.82 GCK (0.58) GCKKCNH2
SCHEMBL19438617 0.80 CA12 (0.51) GCKPOLBHSD17B10TDP1L3MBTL1
SCHEMBL2653773 0.79 GCK (0.43) MYCMAXGCKKCNH2
SCHEMBL9903306 0.77 KDM4E (0.49) GCKHSD17B10TDP1
SCHEMBL5218574 0.76 PTGER1 (0.44) GCKPOLBHSD17B10TDP1L3MBTL1
SCHEMBL2655556 0.74 GCK (0.52) GCKKCNH2
SCHEMBL2654689 0.74 KDM5A (0.43) GCKPTGER1
SCHEMBL18585733 0.71 KDM4E (0.45) MYCXDHPOLBHSD17B10TDP1
SCHEMBL9903857 0.71 GCK (0.37) GCKKCNH2

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 MYC 1953/4885MAX 2420/4885NR1H4 4587/4885

“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.