SCHEMBL161183

SCHEMBL161183

[c]1ccc2c(c1-c1[c]ccc3c1OCO3)OCO2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.39
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
AOC3 Q16853 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NQO2 P16083 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP19A1 P11511 1/20 0.31
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
GSK3B P49841 1/20 0.30
BAD Q92934 1/20 0.30

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
SCHEMBL6216565 0.82 ITGB2 (0.39) ALDH1A1HSD17B10
SCHEMBL9738660 0.82 KDM4E (0.41) ALDH1A1HSD17B10TDP1CYP3A4GSK3B
SCHEMBL3404505 0.80 ABCG2 (0.37) ABCG2TXNRD1TXNRD3TXNRD2AOC3
SCHEMBL6904035 0.78 ABCG2 (0.36) ABCG2TXNRD1TXNRD3TXNRD2AOC3
SCHEMBL83574 0.78 NQO2 (0.40) ABCG2TXNRD1TXNRD3TXNRD2AOC3
SCHEMBL4060952 0.74 TAAR1 (0.33) ABCG2TXNRD1TXNRD3TXNRD2AOC3
SCHEMBL63619 0.74 AOC3 (0.35) ABCG2TXNRD1TXNRD3TXNRD2AOC3
SCHEMBL8612149 0.74 CHRNB2 (0.35) ABCG2TXNRD1TXNRD3TXNRD2
SCHEMBL2884931 0.70 ABCG2 (0.52) ABCG2CYP3A4PKMTSHR
SCHEMBL910176 0.62 ITGB2 (0.37)

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
WO-2020195437-A1 METHOD FOR PRODUCING PKROSTAGLANDIN 協和ファーマケミカル株式会社 2020-10-01 WO disclosed
EP-3015472-B1 COMPOUND, MANUFACTURING METHOD THEREFOR, AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE ALPHA-AMINOPHOSPHONATE DERIVATIVE MICROBIAL CHEM RES FOUND (JP) 2018-08-01 EP disclosed
EP-2679580-B1 THIOAMIDE COMPOUND, METHOD FOR PRODUCING THIOAMIDE COMPOUND, METHOD FOR PRODUCING [(4R,6R)-6-AMINOETHYL-1,3-DIOXAN-4-YL]ACETATE DERIVATIVE, AND METHOD FOR PRODUCING ATORVASTATIN MICROBIAL CHEM RES FOUND (JP) 2017-08-09 EP disclosed
EP-3199524-A1 OPTICALLY ACTIVE -TRIFLUORMETHYL- -AMINO ACID DERIVATIVE PRODUCTION METHOD Microbial Chemistry Research Foundation (JP) 2017-08-02 EP disclosed
US-9493492-B2 Compound, manufacturing method therefor, and method for manufacturing optically active α-aminophosphonate derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2016-11-15 US disclosed
US-20160145278-A1 Compound, Manufacturing Method Therefor, and Method for Manufacturing Optically Active alpha-Aminophosphonate Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2016-05-26 US disclosed
EP-3015472-A1 COMPOUND, MANUFACTURING METHOD THEREFOR, AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE -AMINOPHOSPHONATE DERIVATIVE Microbial Chemistry Research Foundation (JP) 2016-05-04 EP disclosed
EP-2611819-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Takasago International Corporation (JP) 2013-07-10 EP disclosed
WO-2012029970-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-08 WO disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 US disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 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 (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-20160145278-A1 Compound, Manufacturing Method Therefor, and Method for Manufacturing Optically Active alpha-Aminophosphonate Derivative AGPS, GGPS1, AASDHPPT ABCG2 1552/4885TXNRD1 4851/4885TXNRD3 4796/4885
US-20070073065-A1 Substituted optically active disphosphine compound DHPS, DOHH, DHODH ABCG2 1424/4885TXNRD1 3450/4885TXNRD3 3694/4885

“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.