SCHEMBL1576800

SCHEMBL1576800

O=C(c1ccccc1)c1cccc2sc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ADORA1 P30542 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GPR3 P46089 1/20 0.42
MAOB P27338 3/20 0.41
MAOA P21397 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL28610632 0.89 MAOB (0.47) AKR1C3GAAMAPTPRNPRXFP1
SCHEMBL28465502 0.88 GABRA1 (0.56) MAPTRXFP1ALDH1A1MAOBTDP1
SCHEMBL4587587 0.84 PRNP (0.51) MAPTPRNPRXFP1CNR1CNR2
SCHEMBL29450544 0.84 PRNP (0.51) MAPTPRNPRXFP1CNR1CNR2
SCHEMBL30536707 0.84 MEN1 (0.42) AKR1C3GAAMAPTPRNPRXFP1
SCHEMBL17022531 0.80 AKR1C3 (0.47) AKR1C3GAAMAPTPRNPRXFP1
SCHEMBL7115218 0.79 LIMK1 (0.50) GAAMAPTPRNPRXFP1CNR1
SCHEMBL11398888 0.79 GPR3 (0.45) GAAMAPTPRNPRXFP1CNR1
SCHEMBL4585398 0.79 GPR3 (0.45) MAPTPRNPRXFP1CNR1CNR2
SCHEMBL21624239 0.78 MAOA (0.51) GAAMAPTPRNPRXFP1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308865-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) 2013-08-07 EP disclosed
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 AKR1C3 2499/4885GAA 2236/4885MAPT 1930/4885

“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.