SCHEMBL1505360

SCHEMBL1505360

[CH2]c1cc(OC)c(OC)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
HTR2A P28223 7/20 0.39
TAAR1 Q96RJ0 3/20 0.39
HTR2C P28335 2/20 0.39
CYP3A4 P08684 1/20 0.39
GSK3B P49841 1/20 0.38
ERN1 O75460 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL3272704 0.82 ALOX5 (0.44) PRKDCPOLBL3MBTL1LCKFYN
SCHEMBL5852202 0.82 ALOX5 (0.44) POLBL3MBTL1LCKFYNALOX5
SCHEMBL29878552 0.81 POLB (0.67) PRKDCPOLBL3MBTL1LCKFYN
SCHEMBL369991 0.81 POLB (0.67) PRKDCPOLBL3MBTL1LCKFYN
SCHEMBL30202128 0.76 POLB (0.54) PRKDCPOLBL3MBTL1LCKFYN
SCHEMBL5181298 0.76 CYP3A4 (0.43) MAPTHTR2ACYP3A4ALDH1A1GRIN2D
SCHEMBL580565 0.76 POLB (0.54) PRKDCPOLBL3MBTL1LCKFYN
SCHEMBL10717601 0.75 CYP3A4 (0.41) POLBL3MBTL1MAPTPTGS2CYP3A4
SCHEMBL298224 0.75 POLB (0.59) PRKDCPOLBL3MBTL1MAPTNPSR1
SCHEMBL19297778 0.75 HTR7 (0.44) L3MBTL1MAPTNPSR1HTR2AHTR2C

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112352-A1 OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2017-01-04 EP claimed
EP-1725537-B1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-07-13 EP claimed
CN-1950342-A Novel compounds as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2007-04-18 CN claimed
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 US claimed
EP-3112352-B1 OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-21 EP disclosed
CN-104650005-B A kind of synthetic method of Pinaverium Bromide 北京万生药业有限责任公司 2018-10-12 CN disclosed
CN-106977523-A FSHR antagonists with phenyl and nafoxidine structure and preparation method thereof 河南师范大学 2017-07-25 CN disclosed
EP-1389216-B1 AVERMECTINS SUBSTITUTED IN THE 4\"-POSITION HAVING PESTICIDAL PROPERTIES MERIAL INC (US) 2017-02-22 EP disclosed
EP-3112352-A1 OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2017-01-04 EP disclosed
EP-2653465-B1 Opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-07-13 EP disclosed
EP-2573068-B9 Process for preparing intermediates of compounds useful as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-26 EP disclosed
EP-2573068-B1 Process for preparing intermediates of compounds useful as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-12-31 EP disclosed
EP-2298744-B1 Opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-06-26 EP disclosed
EP-2573068-A1 Process for preparing intermediates of compounds useful as opioid receptor modulators Janssen Pharmaceutica NV (BE) 2013-03-27 EP disclosed
EP-1725537-B1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-07-13 EP disclosed
EP-2298744-A2 Opioid receptor modulators Janssen Pharmaceutica NV (BE) 2011-03-23 EP disclosed
US-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed
US-7605134-B2 Pesticides MERIAL LIMITED (US) 2009-10-20 US disclosed
US-20060105970-A1 Avermectins substituted in the 4\"-position having pesticidal properties SYNGENTA CROP PROTECTION, INC. 2006-05-18 US disclosed
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 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 (2 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-20060105970-A1 Avermectins substituted in the 4\"-position having pesticidal properties DDT, C3AR1, C9 PRKDC 4493/4885POLB 4473/4885L3MBTL1 78/4885
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use NMT2, NMT1, MBOAT1 PRKDC 1804/4885POLB 383/4885L3MBTL1 2193/4885

“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.