SCHEMBL1874507

SCHEMBL1874507

O=Cc1ccc(Oc2ccc3[nH]cnc3c2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 2/20 0.42
▸ TTR P02766 2/20 0.41
▸ MAPT P10636 2/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL12633845 0.91 P2RY14 (0.48) P2RY14TTRMAPTMMP12ALDH1A1
SCHEMBL1880854 0.84 TTR (0.54) TTRMAPTMMP12ALDH1A1POLB
SCHEMBL1876553 0.83 P2RY14 (0.48) P2RY14MAPTMMP12ALDH1A1POLB
SCHEMBL1878215 0.79 MMP12 (0.44) P2RY14MAPTMMP12ALDH1A1POLB
SCHEMBL29505633 0.78 CYP2A6 (0.47) P2RY14MAPTMMP12ALDH1A1HDAC1
SCHEMBL1160196 0.78 CYP2A6 (0.47) P2RY14MAPTMMP12ALDH1A1HDAC1
SCHEMBL12633819 0.77 MMP12 (0.56) P2RY14TTRMAPTMMP12ALDH1A1
SCHEMBL30277224 0.76 TTR (0.53) TTRMAPTALDH1A1GAAKDM4E
SCHEMBL12633811 0.74 P2RY14 (0.57) P2RY14MAPTMMP12ALDH1A1HDAC1
SCHEMBL29953448 0.74 P2RY14 (0.57) P2RY14MAPTMMP12ALDH1A1HDAC1

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
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
EP-1943226-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-16 — — EP 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 470/4885TTR 4804/4885MAPT 4563/4885

“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.

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