SCHEMBL12633810

SCHEMBL12633810

OCc1ccc(Oc2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 4/20 0.58
MMP12 P39900 1/20 0.55
QPCTL Q9NXS2 3/20 0.47
P2RX3 P56373 1/20 0.47
LTA4H P09960 1/20 0.46
QPCT Q16769 6/20 0.44
PRKCI P41743 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42
CYP3A4 P08684 1/20 0.41
P2RY6 Q15077 1/20 0.41
HSD11B1 P28845 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
SCHEMBL1875298 0.88 P2RY14 (0.49) P2RY14MMP12QPCTLP2RX3LTA4H
SCHEMBL14547884 0.85 MMP12 (0.55) P2RY14MMP12QPCTLP2RX3QPCT
SCHEMBL3154557 0.82 P2RY14 (0.53) P2RY14MMP12QPCTLQPCTPRKCI
SCHEMBL29770425 0.81 MMP12 (0.62) MMP12QPCTLQPCTPRKCIKDM4E
SCHEMBL1799380 0.81 MMP12 (0.62) MMP12QPCTLQPCTPRKCIKDM4E
SCHEMBL23636200 0.80 MMP12 (0.60) P2RY14MMP12QPCTLP2RX3QPCT
SCHEMBL30468011 0.80 MMP12 (0.60) P2RY14MMP12QPCTLP2RX3QPCT
SCHEMBL30467970 0.80 MMP12 (0.60) MMP12QPCTLQPCTPRKCIKDM4E
SCHEMBL23636201 0.80 MMP12 (0.60) MMP12QPCTLQPCTPRKCIKDM4E
SCHEMBL7013293 0.80 PRKCI (0.66) MMP12QPCTLQPCTPRKCIKDM4E

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-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 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-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 P2RY14 470/4885MMP12 2506/4885QPCTL 3091/4885

“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.