SCHEMBL3913613

SCHEMBL3913613

CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@H]1NC(C)=O

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 2/20 0.91
HSPE1 P61604 2/20 0.91
ADORA3 P0DMS8 1/20 0.80
DRD1 P21728 1/20 0.80
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
USP2 O75604 1/20 0.78
NPC1 O15118 1/20 0.64
MTOR P42345 1/20 0.64
RAB9A P51151 1/20 0.64

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
SCHEMBL31237191 1.00 HSPD1 (0.91) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL3465034 1.00 HSPD1 (0.91) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL19708888 1.00 HSPD1 (0.91) HSPD1HSPE1ADORA3DRD1MEN1
Eprinomectin SCHEMBL120548 0.97 HSPD1 (0.98) HSPD1HSPE1ADORA3DRD1MEN1
Eprinomectin SCHEMBL29392105 0.97 HSPD1 (0.98) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL248270 0.96 HSPD1 (1.00) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL248559 0.96 HSPD1 (1.00) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL29355814 0.96 HSPD1 (1.00) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL19708763 0.96 HSPD1 (1.00) HSPD1HSPE1ADORA3DRD1MEN1
SCHEMBL29523079 0.96 HSPD1 (1.00) HSPD1HSPE1ADORA3DRD1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11985976-B2 Mixture of mectins and pyrethroids and uses thereof VALENT BIOSCIENCES LLC (US) 2024-05-21 US disclosed
US-20210386065-A1 MIXTURE OF MECTINS AND PYRETHROIDS AND USES THEREOF VALENT BIOSCIENCES LLC 2021-12-16 US disclosed
EP-3220888-B1 EPRINOMECTIN PARENTERAL COMPOSITIONS CEVA SANTE ANIMALE (FR) 2021-10-27 EP disclosed
US-20170355724-A1 ANTHELMINTHIC MACROLIDE SYNTHESIS NORBROOK LABORATORIES LIMITED (GB) 2017-12-14 US disclosed
EP-3023092-A1 Eprinomectin parenteral compositions Ceva Sante Animale (FR) 2016-05-25 EP disclosed
US-9320752-B2 Pesticidal ear tag Y-TEX CORPORATION (US) 2016-04-26 US disclosed
US-20130273134-A1 PESTICIDAL EAR TAG Y-TEX CORPORATION 2013-10-17 US disclosed
US-8425925-B2 Pesticidal tag Y-TEX CORPORATION (US) 2013-04-23 US disclosed
US-20090111759-A1 Synergistic Combination of Glutamate-and Gaba-Gated Chloride Agonist Pesticide and at Least One Vitamin E, Niacin, or Derivatives Thereof CHEMINOVA A/S (DK) 2009-04-30 US disclosed
EP-2033518-A1 Pesticidal compositions Cheminova A/S (DK) 2009-03-11 EP disclosed
US-20090004236-A1 PESTICIDAL EAR TAG Y-TEX CORPORATION 2009-01-01 US disclosed
EP-1849363-A1 Synergistic combination of glutamate- and GABA-gated chloride agonist pesticide and at least one of Vitamin E or Niacin Cheminova A/S (DK) 2007-10-31 EP disclosed
US-20050118222-A1 Product to combat ticks and the process for the product's preparation WOLFF BRUCE ZBIG A (BR) 2005-06-02 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 (6 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-20090111759-A1 Synergistic Combination of Glutamate-and Gaba-Gated Chloride Agonist Pesticide and at Least One Vitamin E, Niacin, or Derivatives Thereof SLC6A1, GABRE, GRIN1 HSPD1 1859/4885HSPE1 951/4885ADORA3 439/4885
US-20210386065-A1 MIXTURE OF MECTINS AND PYRETHROIDS AND USES THEREOF ACHE, DDT, PTMS HSPD1 1466/4885HSPE1 1503/4885ADORA3 2478/4885
US-11985976-B2 Mixture of mectins and pyrethroids and uses thereof ACHE, DDT, PTMS HSPD1 1466/4885HSPE1 1503/4885ADORA3 2478/4885
US-20130273134-A1 PESTICIDAL EAR TAG ABAT, AADAC, BRDT HSPD1 441/4885HSPE1 266/4885ADORA3 1615/4885
US-20090004236-A1 PESTICIDAL EAR TAG TMPO, BRDT, AADAC HSPD1 1318/4885HSPE1 709/4885ADORA3 2647/4885
US-20170355724-A1 ANTHELMINTHIC MACROLIDE SYNTHESIS ABAT, EEF1A2, EEF2 HSPD1 1170/4885HSPE1 2174/4885ADORA3 1788/4885

“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.