SCHEMBL163162

SCHEMBL163162

CCOC(=O)C(CSC)(Cc1ccccc1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MMP8 P22894 2/20 0.54
RECQL P46063 1/20 0.54
PIN1 Q13526 1/20 0.45
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN1 P18031 4/20 0.42
PTPRC P08575 1/20 0.42
PPID Q08752 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPRA P18433 1/20 0.41
PTPRB P23467 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
AMPD3 Q01432 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL716322 0.94 ALDH1A1 (0.49) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL10246938 0.93 ALDH1A1 (0.53) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL4419400 0.87 ALDH1A1 (0.62) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL7435532 0.84 ALDH1A1 (0.59) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL5916364 0.83 ALDH1A1 (0.57) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL17460412 0.81 ALDH1A1 (0.56) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL6286922 0.81 ALDH1A1 (0.52) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL161263 0.80 SMN1; SMN2 (0.48) ALDH1A1MMP8RECQLPTPN1SMN1; SMN2
SCHEMBL18065684 0.80 ALDH1A1 (0.55) ALDH1A1MMP8RECQLPIN1POLB
SCHEMBL1522684 0.80 ALDH1A1 (0.58) ALDH1A1MMP8RECQLPIN1POLB

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 12 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-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-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
CN-103188936-A Insecticidal composition DOW AGROSCIENCES LLC 2013-07-03 CN disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO 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
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 ALDH1A1 1882/4885MMP8 3118/4885RECQL 2496/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALDH1A1 1438/4885MMP8 3757/4885RECQL 778/4885

“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.