SCHEMBL12879282

SCHEMBL12879282

CCO[Si](OCC)(OCC)c1cc(C)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
NLRP3 Q96P20 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32

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
SCHEMBL5493495 0.86 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1NLRP3TAAR1
SCHEMBL13027883 0.86 CYP1A2 (0.34) SMN1; SMN2ALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL13027903 0.82 ESR1 (0.32)
SCHEMBL3405676 0.81 CYP3A4 (0.39) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL28957702 0.81 NISCH (0.36) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8987581 0.81 CYP1A2 (0.32) SMN1; SMN2TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL3458211 0.81
SCHEMBL8987594 0.79 NPC1 (0.37) SMN1; SMN2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL13027167 0.79 ACHE (0.48) SMN1; SMN2ALDH1A1TDP1KMT2AMEN1
SCHEMBL13027173 0.79 TDP1 (0.37) ALDH1A1TDP1KMT2AMEN1CYP1A2

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 9 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-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-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
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 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 (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 SMN1; SMN2 2239/4885ALDH1A1 153/4885TDP1 1364/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT SMN1; SMN2 3360/4885ALDH1A1 312/4885TDP1 2536/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT SMN1; SMN2 3360/4885ALDH1A1 312/4885TDP1 2536/4885

“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.