SCHEMBL4259488

SCHEMBL4259488

CC1(C)CCCC(C)(C)N1CCOC(=O)CCCCCCCCC(=O)OCCN1C(C)(C)CCCC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PAM P19021 2/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX2 P34913 8/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
PRKCA P17252 2/20 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
SCHEMBL11202989 0.98 DGKA (0.42) DGKADNM1ALDH1A1L3MBTL1PAM
SCHEMBL11810335 0.94 DGKA (0.40) DGKADNM1ALDH1A1L3MBTL1PAM
SCHEMBL11154148 0.94 DGKA (0.56) DGKADNM1ALDH1A1PAMTSHR
SCHEMBL11813600 0.94 DGKA (0.56) DGKADNM1ALDH1A1PAMTSHR
SCHEMBL11809257 0.92 DGKA (0.38) DGKADNM1ALDH1A1L3MBTL1PAM
SCHEMBL11807014 0.92 ADRA2A (0.38) DGKATSHRNFKB1CYP2C19
SCHEMBL11807258 0.86 LMNA (0.38) ALDH1A1TSHRNFKB1CYP2C19
SCHEMBL11806697 0.85 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL11807662 0.81 TSHR (0.39) TSHRNFKB1CYP2C19
SCHEMBL11806693 0.81 TSHR (0.38) TSHRNFKB1CYP2C19

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 11 patents. 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
CN-104023529-B Use nitrogen polymer Stable Iodine compound 朗盛德国有限责任公司 2016-10-12 CN disclosed
CN-102378577-B Stabilization of iodine-containing compounds LANXESS DEUTSCHLAND GMBH (DE) 2015-10-07 CN disclosed
US-20150051279-A1 STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES LANXESS DEUTSCHLAND GMBH (DE) 2015-02-19 US disclosed
CN-102497776-B Inorganic carrier materials containing nitrogen LANXESS DEUTSCHLAND GMBH 2015-02-11 CN disclosed
CN-104023529-A STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH 2014-09-03 CN disclosed
CN-102378577-A Stabilization of iodine-containing compounds LANXESS DEUTSCHLAND GMBH 2012-03-14 CN disclosed
US-20090036555-A1 Stabilization of iodine biocides LANXESS DEUTSCHLAND GMBH (DE) 2009-02-05 US disclosed
US-4517283-A STABILIZED BY POLYALKYLPIPERIDINE COMPOUND AND PHENOL ANTIOXIDANT CIBA-GEIGY AG (CH) 1985-05-14 US disclosed
US-4314933-A 2,2,6,6-TETRAALKYLPIPERIDINE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1982-02-09 US disclosed
US-3975357-A SUBSTITUTED PIPERIDINES SANKYO COMPANY LIMITED (JA) 1976-08-17 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-20090036555-A1 Stabilization of iodine biocides LCT, BTD, HDHD5 DGKA 2047/4885DNM1 4506/4885ALDH1A1 312/4885
US-20150051279-A1 STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES DDT, TPO, TRHDE DGKA 1011/4885DNM1 3698/4885ALDH1A1 1873/4885

“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.