SCHEMBL161253

SCHEMBL161253

CCC(CC)(CSC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL173322 0.78 FFAR3 (0.41) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL6818431 0.75 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL27684861 0.75 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL28210395 0.75 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
Hydrochloric Acid SCHEMBL8901931 0.75 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
Ammonia Solution, Strong SCHEMBL9700926 0.75 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL27899335 0.75 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL13423607 0.73 TSHR (0.42) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL9344557 0.73 FFAR3 (0.37) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL9177461 0.73 ALDH1A1 (0.41) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103188936-B Insecticidal composition DOW AGROSCIENCES LLC (US) 2016-04-20 CN disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-8604211-B2 Pesticidal compositions Dow AroSciecnes, LLC. (US) 2013-12-10 US disclosed
EP-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 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-20120053146-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MEN1 3463/4885ALDH1A1 1882/4885CYP1A2 1110/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MEN1 2640/4885ALDH1A1 1438/4885CYP1A2 300/4885

“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.