SCHEMBL159086

SCHEMBL159086

C=CCSCC(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APEX1 P27695 1/20 0.37
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ENPEP Q07075 2/20 0.31
BLM P54132 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
SCHEMBL2350703 1.00 ALOX5 (0.40) ALOX5SMN1; SMN2APEX1GABRR1CYP1A2
SCHEMBL4621721 0.80 APEX1 (0.36) APEX1GABRR1CYP1A2
SCHEMBL10639397 0.80 GABRR1 (0.42) ALOX5SMN1; SMN2GABRR1CYP1A2BLM
SCHEMBL4621726 0.80 APEX1 (0.36) APEX1GABRR1CYP1A2
SCHEMBL7845774 0.79 GABRR1 (0.46) APEX1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL10311771 0.79 MEN1 (0.37) ALOX5SMN1; SMN2
SCHEMBL15693292 0.78
SCHEMBL9737215 0.78
SCHEMBL23713645 0.77 ALOX5 (0.42) ALOX5SMN1; SMN2
SCHEMBL9739872 0.76 APEX1 (0.36) APEX1GABRR1CYP1A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4105629-A SYNTHETIC RESIN STABILIZER COMPRISING A THIOETHER ESTER AND HINDERED PHENOLIC CARBONATE ARGUS CHEMICAL CORPORATION (US) 1978-08-08 US claimed
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-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-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
EP-1838680-A2 MACROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-10-03 EP disclosed
WO-2006074940-A2 MACROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO disclosed
US-5098599-A Aromatic esters with sulfide groups as liquid crystals MITSUBISHI RAYON COMPANY LTD. (JP) 1992-03-24 US disclosed
EP-0405983-A2 Optically active substance and liquid crystal composition MITSUBISHI RAYON CO., LTD (JP) 1991-01-02 EP disclosed
EP-0354355-A1 Optically active compound and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1990-02-14 EP disclosed
US-4806675-A CATALYTIC ESTERIFICATION WITH HYDROXYALKANOIC AND THIOALKANOIC ACIDS; HEAT AND OXIDATION RESISTANCE MALLINCKRODT, INC. (US) 1989-02-21 US disclosed
US-4794138-A STABILIZERS OF ORGANIC MATERIAL NORMALLY SUSCEPTIBLE TO OXIDATIVE AND/OR THERMAL DETERIORATION MALLINCKRODT, INC. (US) 1988-12-27 US disclosed
US-4772741-A STABILIZERS FOR POLYMERS MILLINCKRODT, INC. (US) 1988-09-20 US disclosed
US-4734519-A STABILIZERS MALLINCKRODT, INC. (US) 1988-03-29 US disclosed
EP-0250087-A1 Pentaerythritol co-esters MALLINCKRODT, INC. (US) 1987-12-23 EP 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-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALOX5 1479/4885SMN1; SMN2 4175/4885APEX1 3407/4885

“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.