SCHEMBL3697986

SCHEMBL3697986

COc1cccc(C(N)=O)c1Oc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.50
PARP3 Q9Y6F1 1/20 0.50
CTNNB1 P35222 1/20 0.44
ALDH1A1 P00352 6/20 0.44
CYP2A6 P11509 1/20 0.44
TTR P02766 1/20 0.43
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
HTT P42858 3/20 0.40
CYP2C9 P11712 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.40
POLB P06746 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
SCHEMBL17508212 0.84 ALDH1A1 (0.57) PARP10PARP3ALDH1A1CYP2A6TTR
SCHEMBL3697056 0.83 PARP10 (0.53) PARP10PARP3CTNNB1ALDH1A1CYP2A6
SCHEMBL3692982 0.81 PARP10 (0.53) PARP10PARP3CTNNB1ALDH1A1CYP2A6
SCHEMBL3696878 0.81 PARP10 (0.53) PARP10PARP3CTNNB1ALDH1A1PARP1
SCHEMBL2562259 0.80 CTNNB1 (0.70) PARP10PARP3CTNNB1ALDH1A1TTR
SCHEMBL6206619 0.78 PARP10 (0.50) PARP10PARP3CTNNB1ALDH1A1CYP2A6
SCHEMBL3691763 0.78 PARP10 (0.53) PARP10PARP3CTNNB1ALDH1A1RAB9A
SCHEMBL261504 0.77 MAPT (0.56) ALDH1A1HTTNPC1RAB9AMAPK1
SCHEMBL29428807 0.77 ALDH1A1 (0.49) ALDH1A1CYP2A6TTRTSHRHTT
SCHEMBL3969737 0.76 ALDH1A1 (0.70) PARP10PARP3ALDH1A1CYP2A6TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 US disclosed
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 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 (3 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-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 PARP10 2398/4885PARP3 4220/4885CTNNB1 1904/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 PARP10 2461/4885PARP3 4238/4885CTNNB1 1933/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 PARP10 2434/4885PARP3 4263/4885CTNNB1 1858/4885

“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.