SCHEMBL5074299

SCHEMBL5074299

CCOC(Cc1ccc(SP)cc1)OCC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.38
MAOA P21397 3/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5077193 0.81 SLC6A4 (0.42) SLC6A4MAOASLC6A2SLC6A3MAOB
SCHEMBL13516238 0.74 PPARA (0.42)
SCHEMBL5758636 0.74 TRPA1 (0.47) MAOAMAOB
SCHEMBL5710979 0.74 TAAR1 (0.52) SLC6A2
SCHEMBL113325 0.73 TAAR1 (0.48) SLC6A4MAOASLC6A2SLC6A3
SCHEMBL17400963 0.68 SLC6A4 (0.37) SLC6A4MAOAMAOB
SCHEMBL8384867 0.66 PPARA (0.43) SLC6A4MAOASLC6A2SLC6A3
SCHEMBL27578524 0.66 LOXL2 (0.56)
SCHEMBL7931858 0.65 PPARA (0.39) MAOB
SCHEMBL5756927 0.64 NR3C1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423168-B2 Reacting allyl starting compound with oxygen nucleophilic agent in presence of transition metal catalyst and monodentate phosphite MITSUBISHI CHEMICAL CORPORATION (JP) 2008-09-09 US disclosed
US-7241857-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2007-07-10 US disclosed
US-7173157-B2 Method for producing an allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2007-02-06 US disclosed
US-7119222-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-10 US disclosed
US-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-05-18 US disclosed
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-29 US disclosed
US-20040092777-A1 Method for producing allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-13 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 (4 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-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 SLC6A4 4138/4885MAOA 2224/4885SLC6A2 4522/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 SLC6A4 4138/4885MAOA 2224/4885SLC6A2 4522/4885
US-20040092777-A1 Method for producing allyl compound CCNT1, APEX1, REV1 SLC6A4 4659/4885MAOA 3639/4885SLC6A2 4714/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 SLC6A4 4217/4885MAOA 2152/4885SLC6A2 4344/4885

“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.