SCHEMBL2841904

SCHEMBL2841904

Cc1cccc(-c2cccc(C(=O)O)n2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.63
CCR1 P32246 1/20 0.61
CCR8 P51685 1/20 0.61
KDM4E B2RXH2 5/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
ACMSD Q8TDX5 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
P2RX7 Q99572 1/20 0.49
LMNA P02545 1/20 0.47
GRM5 P41594 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PADI1 Q9ULC6 1/20 0.46
PADI3 Q9ULW8 1/20 0.46
PADI4 Q9UM07 1/20 0.46
PADI2 Q9Y2J8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3754707 0.92 ECE1 (0.55) ECE1CCR1CCR8KDM4EALOX15
SCHEMBL118409 0.88 KDM4E (0.70) ECE1CCR1CCR8KDM4EALOX15
SCHEMBL29357675 0.88 KDM4E (0.76) ECE1KDM4EALOX15TSHRACMSD
SCHEMBL70765 0.88 KDM4E (0.76) ECE1KDM4EALOX15TSHRACMSD
SCHEMBL5685849 0.86 KDM4E (0.67) ECE1CCR1CCR8KDM4EALOX15
SCHEMBL31474569 0.86 KDM4E (0.67) ECE1CCR1CCR8KDM4EALOX15
Hydrochloric Acid SCHEMBL2298503 0.86 KDM4E (0.67) ECE1CCR1CCR8KDM4EALOX15
SCHEMBL143651 0.86 KDM4E (0.73) ECE1KDM4EALOX15TSHRACMSD
SCHEMBL29355234 0.86 KDM4E (0.73) ECE1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL17371709 0.84 KDM4E (0.64) ECE1CCR1CCR8KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9357783-B2 Methods and compositions for controlling ectoparasites HATCHTECH PTY LTD. (AU) 2016-06-07 US disclosed
EP-2457582-B1 Method and compositions for controlling ectoparasites HATCHTECH PTY LTD (AU) 2014-04-30 EP disclosed
US-20130005765-A1 Methods and Compositions for Controlling Ectoparasites HATCHTECH PTY LTD. (AU) 2013-01-03 US disclosed
EP-2457582-A1 Method and compositions for controlling ectoparasites Hatchtech Pty Ltd (AU) 2012-05-30 EP disclosed
US-7812163-B2 inhibiting egg hatching via topical composition containig metal chelating agent and/or metalloprotease inhibitor, such as 5,5'-dimethyl-2,2'-dipyridyl; head lice HATCHTECH PTY LTD. (AU) 2010-10-12 US disclosed
US-20100204277-A1 Compositions and Methods for Controlling Infestation HATCHTECH PTY LTD. (AU) 2010-08-12 US disclosed
EP-2141991-A2 COMPOSITIONS AND METHODS FOR CONTROLLING INFESTATION Hatchtech Pty Ltd (AU) 2010-01-13 EP disclosed
US-20090143419-A1 METHODS AND COMPOSITIONS FOR CONTROLLING ECTOPARASITES HATCHTECH PTY LTD (AU) 2009-06-04 US disclosed
WO-2009047584-A1 COMBINATION COMPOSITIONS AND METHODS OF USE OF THE SAME FOR CONTROLLING INFESTATION HATCHTECH PTY. LTD. (AU) 2009-04-16 WO disclosed
WO-2008122837-A2 COMPOSITIONS AND METHODS FOR CONTROLLING INFESTATION HATCHTECH PTY LTD. (AU) 2008-10-16 WO disclosed
US-20070254907-A1 COMPOSITIONS AND METHODS FOR CONTROLLING INFESTATION HATCHTECH PTY LTD (AU) 2007-11-01 US disclosed
EP-1845782-A1 METHODS AND COMPOSITIONS FOR CONTROLLING ECTOPARASITES Hatchtech Pty Ltd (AU) 2007-10-24 EP disclosed
WO-2006076761-A1 METHODS AND COMPOSITIONS FOR CONTROLLING ECTOPARASITES HATCHTECH PTY LTD (AU) 2006-07-27 WO disclosed
EP-1653997-A1 METHODS AND COMPOSITIONS FOR CONTROLLING ECTOPARASITES Hatchtech Pty Ltd (AU) 2006-05-10 EP disclosed
WO-2005007188-A1 METHODS AND COMPOSITIONS FOR CONTROLLING ECTOPARASITES HATCHTECH PTY LTD (AU) 2005-01-27 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 (4 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-20070254907-A1 COMPOSITIONS AND METHODS FOR CONTROLLING INFESTATION ME3, ACHE, SGMS2 ECE1 2754/4885CCR1 3417/4885CCR8 4098/4885
US-20130005765-A1 Methods and Compositions for Controlling Ectoparasites CAT, CMA1, CTRL ECE1 247/4885CCR1 2566/4885CCR8 3407/4885
US-20090143419-A1 METHODS AND COMPOSITIONS FOR CONTROLLING ECTOPARASITES CAT, CTRL, SOD3 ECE1 177/4885CCR1 1368/4885CCR8 2091/4885
US-20100204277-A1 Compositions and Methods for Controlling Infestation ME3, ACHE, SGMS2 ECE1 2754/4885CCR1 3417/4885CCR8 4098/4885

“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.