SCHEMBL2498155

SCHEMBL2498155

COC(=O)c1ccc(CO)c(C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
P4HB P07237 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP4A11 Q02928 2/20 0.41
CYP4F2 P78329 1/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL2505147 0.87 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL16839669 0.87 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL19155007 0.80 CHRNB2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL2502725 0.80 SLC6A3 (0.48) CA12CA1CA2CA7CA9
SCHEMBL31430582 0.80 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL12788047 0.79 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL19899909 0.78 KDM4E (0.54) CA12CA1CA2CA7CA9
SCHEMBL31435251 0.78 SLC6A3 (0.47) CA12CA1CA2CA7CA9
SCHEMBL28282005 0.78 NOTUM (0.49) CA12CA1CA2CA7CA9
SCHEMBL27928427 0.78 CA1 (0.49) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 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-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 CA12 3982/4885CA1 3116/4885CA2 1544/4885

“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.