SCHEMBL4684067

SCHEMBL4684067

CCOC(=O)c1cc(C)n(Cc2cc(OC)ccc2O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
HSD17B2 P37059 1/20 0.40
CYP3A4 P08684 1/20 0.40
ELANE P08246 1/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 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
SCHEMBL4683999 0.85 PTGER1 (0.51) MAPTPOLBKDM4EHPGDNPC1
SCHEMBL252003 0.85 PTGER1 (0.51) MAPK1
SCHEMBL4085683 0.85 PTGER1 (0.51) ALDH1A1
SCHEMBL22435184 0.83 MAPT (0.56) TP53PDE4DMAPTKDM4EHPGD
SCHEMBL4680374 0.83 PTGER1 (0.44) POLBALDH1A1NPC1RAB9ACA1
SCHEMBL15050228 0.83 PTGER1 (0.47) MAPTKDM4ECA1CA2CA12
SCHEMBL15964663 0.77 MAPT (0.48) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL7231829 0.75 TP53 (0.49) TP53PDE4DMAPTPOLBKDM4E
SCHEMBL29831851 0.75 CYP1A2 (0.54) TP53POLBKDM4EALDH1A1NPC1
SCHEMBL15964665 0.75 CYP1A2 (0.54) TP53POLBKDM4EALDH1A1NPC1

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 TP53 2358/4885PDE4D 1064/4885MAPT 4699/4885

“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.