SCHEMBL1901353

SCHEMBL1901353

CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)O)C(=O)OC1(C2CC(C)(C)N(C)C(C)(C)C2)CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1768974 0.86 GAA (0.35) GAAPKMHTTMEN1USP2
SCHEMBL1905691 0.83
SCHEMBL17446579 0.82 ALDH1A1 (0.36) GAAPKMHTTMEN1USP2
SCHEMBL31364 0.81 GAA (0.36) GAAPKMHTTMEN1USP2
SCHEMBL12994323 0.80 SGPL1 (0.32) GAAPKMHTTMEN1USP2
SCHEMBL11487382 0.78 GAA (0.35) GAAPKMHTTMEN1USP2
SCHEMBL29198691 0.78 GAA (0.32) GAAPKMHTTMEN1USP2
SCHEMBL11213179 0.77 GAA (0.35) GAAPKMHTTMEN1USP2
SCHEMBL13599592 0.77 GAA (0.36) GAAPKMHTTMEN1USP2
SCHEMBL12933648 0.77 GAA (0.34) GAAPKMHTTMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951205-B2 Stable compositions of thiabendazole and iodine-containing fungicides LANXESS DEUTSCHLAND GMBH (DE) 2018-04-24 US disclosed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US disclosed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US disclosed
US-9328065-B2 Nitrogen-containing inorganic carrier materials LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US disclosed
US-9296878-B2 Fungicide formulations for plasticized PVC LANXESS DEUTSCHLAND GMBH (DE) 2016-03-29 US disclosed
US-20150203660-A1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC LANXESS DEUTSCHLAND GMBH (DE) 2015-07-23 US disclosed
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2015-03-26 US disclosed
US-20150080491-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2015-03-19 US disclosed
US-20150051279-A1 STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES LANXESS DEUTSCHLAND GMBH (DE) 2015-02-19 US disclosed
US-8921451-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2014-12-30 US disclosed
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2012-08-16 US disclosed
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-26 US disclosed
US-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-12 US disclosed
US-7943644-B2 Stabilization of iodine-containing biocides by means of special azole compounds LANXESS DEUTSCHLAND GMBH (DE) 2011-05-17 US disclosed
US-20090192219-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2009-07-30 US disclosed
US-20090036555-A1 Stabilization of iodine biocides LANXESS DEUTSCHLAND GMBH (DE) 2009-02-05 US disclosed
US-6013704-A A STABILIZER AGAINST THE DAMAGING ACTION OF LIGHT, OXYGEN AND HEAT; PROTECTIVE COATINGS FOR PHOTOGRAPHIC MATERIAL CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-01-11 US disclosed
EP-0382285-B1 Particulate toner material AGFA GEVAERT NV (BE) 1994-10-26 EP disclosed
US-5013628-A In admixture with carrier particles and a thermoplastic binder AGFA-GEVAERT, N.V. (BE) 1991-05-07 US disclosed
EP-0382285-A1 Particulate toner material AGFA-GEVAERT N.V. (BE) 1990-08-16 EP 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 (8 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-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 GAA 3453/4885PKM 3313/4885HTT 579/4885
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 GAA 3453/4885PKM 3313/4885HTT 579/4885
US-20090036555-A1 Stabilization of iodine biocides LCT, BTD, HDHD5 GAA 1460/4885PKM 3939/4885HTT 36/4885
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS SLCO4C1, SLCO1B3, ABCC3 GAA 2298/4885PKM 3043/4885HTT 382/4885
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH GAA 949/4885PKM 4235/4885HTT 666/4885
US-20150080491-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH GAA 949/4885PKM 4235/4885HTT 666/4885
US-20150051279-A1 STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES DDT, TPO, TRHDE GAA 721/4885PKM 1116/4885HTT 1017/4885
US-20090192219-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS LCT, BTD, ALKBH3 GAA 2064/4885PKM 3068/4885HTT 386/4885

“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.