SCHEMBL5077192

SCHEMBL5077192

CCOC(Cc1ccccc1SN)OCC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
APOBEC3G Q9HC16 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
P4HB P07237 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GFER P55789 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
SCHEMBL26428730 0.73 GABRA1 (0.41) APOBEC3GL3MBTL1
SCHEMBL5761538 0.73 IDO1 (0.42) KMT2ACYP2D6L3MBTL1
SCHEMBL7654189 0.73 IDO1 (0.42) KMT2ACYP2D6CYP2C19L3MBTL1
SCHEMBL7442131 0.71 IDO1 (0.47) KMT2ACYP2D6L3MBTL1
SCHEMBL7654314 0.70 AR (0.35) L3MBTL1
SCHEMBL5077193 0.69 SLC6A4 (0.42)
Hydrogen Sulfide SCHEMBL27896698 0.69 KMT2A (0.50) KMT2ACYP2D6L3MBTL1
SCHEMBL113325 0.69 TAAR1 (0.48) CYP2D6L3MBTL1
SCHEMBL30502989 0.68 APOBEC3G (0.41) KMT2AAPOBEC3GCYP2C9CYP2C19
SCHEMBL2554563 0.67 LIPG (0.43) CYP2D6CYP2C9

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 KMT2A 2110/4885APOBEC3G 2742/4885CYP2D6 601/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 KMT2A 2110/4885APOBEC3G 2742/4885CYP2D6 601/4885
US-20040092777-A1 Method for producing allyl compound CCNT1, APEX1, REV1 KMT2A 2660/4885APOBEC3G 4142/4885CYP2D6 2208/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 KMT2A 2201/4885APOBEC3G 1466/4885CYP2D6 194/4885

“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.