SCHEMBL716817

SCHEMBL716817

CCN(CC)CC.CCOC(=O)C1(COS(C)(=O)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL162359 0.92 ALDH1A1 (0.39) ALDH1A1KMT2AGAAMEN1POLB
SCHEMBL12140577 0.88 ALDH1A1 (0.36) ALDH1A1KMT2AGAAMEN1POLB
SCHEMBL4462480 0.86 POLB (0.39) ALDH1A1KMT2AGAAMEN1POLB
SCHEMBL6950111 0.82 TSHR (0.39) ALDH1A1KMT2AGAAMEN1POLB
SCHEMBL19209048 0.81 POLB (0.40) ALDH1A1KMT2APOLBLMNASMN1; SMN2
SCHEMBL6777001 0.78 TSHR (0.36) ALDH1A1KMT2AGAAMEN1POLB
SCHEMBL20854200 0.78 ALDH1A1 (0.38) ALDH1A1KMT2AGAAMEN1POLB
SCHEMBL15589146 0.75 CYP4F2 (0.42) ALDH1A1LMNATSHRNPSR1
SCHEMBL20512092 0.72 POLB (0.38) ALDH1A1KMT2AGAAMEN1POLB
SCHEMBL20512040 0.72 POLB (0.38) ALDH1A1KMT2AGAAMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604211-B2 Pesticidal compositions Dow AroSciecnes, LLC. (US) 2013-12-10 US 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 (1 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 ALDH1A1 1882/4885KMT2A 3522/4885GAA 1792/4885

“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.