SCHEMBL12879187

SCHEMBL12879187

C#CCOC(=O)c1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 1/20 0.51
▸ ADRB2 P07550 2/20 0.50
▸ ADRB1 P08588 2/20 0.50
▸ ADRB3 P13945 2/20 0.50
▸ FNTA P49354 1/20 0.49
▸ FNTB P49356 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL28008556 0.91 FNTA (0.48) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL5692582 0.88 NPC1 (0.61) NPC1RAB9AFNTAFNTBCA12
SCHEMBL23343711 0.83 MMP1 (0.51) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL2832878 0.82 NPC1 (0.54) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL11303053 0.81 RAB9A (0.49) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL29360475 0.81 TDP1 (0.60) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL570920 0.81 TDP1 (0.60) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL9044225 0.81 L3MBTL1 (0.61) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL822797 0.81 NPC1 (0.57) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL8359572 0.81 NPC1 (0.53) NPC1ADRB2ADRB1ADRB3FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 — — US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 — — US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 — — US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 — — US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 — — US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 — — US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 — — US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 — — US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 — — US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 — — US disclosed
WO-2012146125-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2012-11-01 — — WO disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 — — US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 — — US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 — — 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 (3 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO NPC1 1790/4885RAB9A 2139/4885ADRB2 2024/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT NPC1 4025/4885RAB9A 3140/4885ADRB2 1963/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT NPC1 4025/4885RAB9A 3140/4885ADRB2 1963/4885

“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.

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