SCHEMBL4680374

SCHEMBL4680374

CCOC(=O)c1cc(C)n(Cc2ccccc2O)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL15964663 0.88 MAPT (0.48) PTGER1GAAKMT2ACYP1A2AURKA
SCHEMBL15964665 0.86 CYP1A2 (0.54) PTGER1GAAKMT2ACYP1A2NPC1
SCHEMBL29831851 0.86 CYP1A2 (0.54) PTGER1GAAKMT2ACYP1A2NPC1
SCHEMBL4683999 0.84 PTGER1 (0.51) PTGER1CA9CA12CA1CA2
SCHEMBL252003 0.84 PTGER1 (0.51) PTGER1
SCHEMBL4085683 0.84 PTGER1 (0.51) PTGER1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL3180834 0.84 SLC22A12 (0.47) PTGER1GAAKMT2ACYP1A2RAB9A
SCHEMBL4684067 0.83 TP53 (0.43) CA9CA12CA1CA2CA7
SCHEMBL1233306 0.83 SMN1; SMN2 (0.60) PTGER1GAAKMT2ACYP1A2AURKA
SCHEMBL15050228 0.82 PTGER1 (0.47) PTGER1CA9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US 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-20070060596-A1 Heterocyclyl compounds F9, F12, CYP2C9 PTGER1 1257/4885CA9 203/4885CA12 3490/4885

“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.