SCHEMBL1702639

SCHEMBL1702639

CCC1(C)CC(OC(=O)CCCCCCCCC(=O)O)C(C)(C)C(C)(CC)N1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
ATP2A1 O14983 2/20 0.33
CETP P11597 2/20 0.33
GPR84 Q9NQS5 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
TLR2 O60603 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11440112 0.74 PRKCA (0.35) NAAAGPR84PPARGPPARDPPARA
SCHEMBL11440999 0.74 PRKCA (0.35) NAAAGPR84PPARGPPARDPPARA
SCHEMBL11440896 0.74 PRKCA (0.35) NAAAGPR84PPARGPPARDPPARA
SCHEMBL11447551 0.74 PRKCA (0.35) NAAAGPR84PPARGPPARDPPARA
SCHEMBL536475 0.73 GPR84 (0.31) GPR84PPARGPPARDPPARAALDH1A1
SCHEMBL11440691 0.72 PRKCA (0.33) NAAATSHR
SCHEMBL28125797 0.70 GAA (0.47) NAAAGPR84PPARGPPARDPPARA
SCHEMBL825543 0.70 GAA (0.47) NAAAGPR84PPARGPPARDPPARA
Sebacic Acid SCHEMBL28290612 0.70 GAA (0.47) NAAAGPR84PPARGPPARDPPARA
SCHEMBL7007176 0.68 GAA (0.48) NAAATSHR

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 25 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
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP disclosed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US disclosed
US-9328065-B2 Nitrogen-containing inorganic carrier materials LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US disclosed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen 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-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds LANXESS DEUTSCHLAND GMBH (DE) 2012-12-06 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
EP-2440043-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS Lanxess Deutschland GmbH (DE) 2012-04-18 EP disclosed
US-7943644-B2 Stabilization of iodine-containing biocides by means of special azole compounds LANXESS DEUTSCHLAND GMBH (DE) 2011-05-17 US disclosed
WO-2010142790-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO 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-4552885-A FOR LATEX PAINTS, TETRAALKYL PYRIDINES CIBA GEIGY CORPORATION (US) 1985-11-12 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 (9 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 NAAA 1856/4885ATP2A1 3596/4885CETP 1337/4885
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 NAAA 1856/4885ATP2A1 3596/4885CETP 1337/4885
US-20090036555-A1 Stabilization of iodine biocides LCT, BTD, HDHD5 NAAA 2301/4885ATP2A1 4263/4885CETP 3193/4885
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS SLCO4C1, SLCO1B3, ABCC3 NAAA 2952/4885ATP2A1 1442/4885CETP 2805/4885
US-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds TPO, BRD4, SSTR3 NAAA 2730/4885ATP2A1 4849/4885CETP 4526/4885
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH NAAA 2785/4885ATP2A1 4298/4885CETP 4661/4885
US-20150080491-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH NAAA 2785/4885ATP2A1 4298/4885CETP 4661/4885
US-20150051279-A1 STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES DDT, TPO, TRHDE NAAA 1400/4885ATP2A1 4509/4885CETP 3542/4885
US-20090192219-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS LCT, BTD, ALKBH3 NAAA 2486/4885ATP2A1 4697/4885CETP 3143/4885

“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.