SCHEMBL1576689

SCHEMBL1576689

Cc1ccc(C(=O)c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.60
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
SRD5A2 P31213 1/20 0.44
KMT2A Q03164 1/20 0.44
NOD2 Q9HC29 1/20 0.44
GPR3 P46089 1/20 0.44
GABRA1 P14867 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43

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
SCHEMBL1576859 0.89 CYP1A2 (0.63) MAOBCYP1A2ALDH1A1PTPN7DUSP3
SCHEMBL17931026 0.87 CYP1A2 (0.57) MAOBCYP1A2ALDH1A1LMNAPTPN7
SCHEMBL16448222 0.87 CYP1A2 (0.57) MAOBCYP1A2ALDH1A1LMNAPTPN7
SCHEMBL14124804 0.86 CYP1A2 (0.60) MAOBCYP1A2PTPN7DUSP3PTPN12
SCHEMBL16456435 0.84 CYP1A2 (0.55) MAOBCYP1A2PTPN7DUSP3PTPN12
SCHEMBL31379443 0.84 CYP1A2 (0.55) MAOBCYP1A2ALDH1A1LMNAPTPN7
SCHEMBL17931031 0.84 CYP1A2 (0.55) MAOBCYP1A2ALDH1A1LMNAPTPN7
SCHEMBL27433778 0.84 MAOB (0.50) MAOBCYP1A2ALDH1A1LMNAPTPN7
SCHEMBL17931032 0.84 CNR2 (0.65) MAOBCYP1A2ALDH1A1LMNAPTPN7
SCHEMBL1576690 0.82 CYP1A2 (0.52) MAOBCYP1A2ALDH1A1PTPN7DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1557413-B1 NOVEL AROMATIC SULFONIUM SALT COMPOUND, PHOTO-ACID GENERATOR COMPRISING THE SAME AND PHOTOPOLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN COMPOSITION FOR OPTICAL THREE-DIMENSIONAL SHAPING, AND METHOD OF OPTICALLY FORMING THREE-DIMENSIONAL SHAPE ADEKA CORP (JP) 2012-08-01 EP disclosed
EP-2308865-A1 Novel aromatic sulfonium salt compound, photo-acid generator comprising the same and photopolymerizable composition containing the same, resin composition for optical three-dimensional shaping, and method of optically forming three-dimensional shape Adeka Corporation (JP) 2011-04-13 EP disclosed
US-7611817-B2 Capable of providing stereolithographic resin compositions which do not suffer from hindrance to curing by oxygen, can easily give shaped articles having desired sizes by virtue of high accuracy thereof in curing, can attain satisfactory curing depth owing to high sensitivity thereof for radiant energy ADEKA CORPORATION (JP) 2009-11-03 US disclosed
US-20060055088-A1 Novel aromatic sulfonium salt compound, photo-acid generator comprising the same and photopolymerizable composition containing the same, resin composition for optical three-dimensional shaping and method of optically forming tree-dimensional shape ASAHI DENKA CO. LTD. (JP) 2006-03-16 US disclosed
EP-1557413-A1 NOVEL AROMATIC SULFONIUM SALT COMPOUND, PHOTO-ACID GENERATOR COMPRISING THE SAME AND PHOTOPOLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN COMPOSITION FOR OPTICAL THREE-DIMENSIONAL SHAPING, AND METHOD OF OPTICALLY FORMING THREE-DIMENSIONAL SHAPE Asahi Denka Co., Ltd. (JP) 2005-07-27 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-20060055088-A1 Novel aromatic sulfonium salt compound, photo-acid generator comprising the same and photopolymerizable composition containing the same, resin composition for optical three-dimensional shaping and method of optically forming tree-dimensional shape ARSA, NOX5, ATIC MAOB 2782/4885CYP1A2 1515/4885ALDH1A1 525/4885

“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.