SCHEMBL1576859

SCHEMBL1576859

O=C(c1ccccc1)c1ccc2sc3ccccc3c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTPN7 P35236 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
GPR3 P46089 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SRD5A2 P31213 1/20 0.47
MAOB P27338 4/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PBRM1 Q86U86 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL14124804 0.93 CYP1A2 (0.60) CYP1A2ATMTDP1L3MBTL1PTPN7
SCHEMBL17931031 0.89 CYP1A2 (0.55) CYP1A2TDP1PTPN7DUSP3PTPN12
SCHEMBL16456435 0.89 CYP1A2 (0.55) CYP1A2ATMTDP1L3MBTL1PTPN7
SCHEMBL1576689 0.89 MAOB (0.60) CYP1A2L3MBTL1PTPN7DUSP3PTPN12
SCHEMBL31379443 0.89 CYP1A2 (0.55) CYP1A2TDP1PTPN7DUSP3PTPN12
SCHEMBL16447180 0.88 CYP1A2 (0.55) CYP1A2ATMTDP1L3MBTL1PTPN7
SCHEMBL17923690 0.86 CYP1A2 (0.67) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL17923691 0.86 CYP1A2 (0.67) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL3111619 0.86 CYP1A2 (0.67) CYP1A2PTPN7DUSP3PTPN12PTPN22
SCHEMBL30839928 0.86 CYP1A2 (0.67) CYP1A2PTPN7DUSP3PTPN12PTPN22

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160211470-A1 COMPOSITION AND SYNTHESIS OF AGGREGATION-INDUCED EMISSION MATERIALS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-07-21 US claimed
WO-2015018322-A1 COMPOSITION AND SYNTHESIS OF AGGREGATION-INDUCED EMISSION MATERIALS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-02-12 WO claimed
US-11370751-B2 Sulfonium salt, heat- or photo-acid generator, heat- or photo-curable composition, and cured product thereof SAN APRO LTD. (JP) 2022-06-28 US disclosed
US-20190284134-A1 SULFONIUM SALT, HEAT- OR PHOTO-ACID GENERATOR, HEAT- OR PHOTO-CURABLE COMPOSITION, AND CURED PRODUCT THEREOF SAN APRO LTD. (JP) 2019-09-19 US disclosed
US-9929363-B2 Composition and synthesis of aggregation-induced emission materials THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-03-27 US disclosed
US-9929363-B2 Composition and synthesis of aggregation-induced emission materials THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-03-27 US disclosed
US-9929363-B2 Composition and synthesis of aggregation-induced emission materials THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-03-27 US disclosed
US-20160211470-A1 COMPOSITION AND SYNTHESIS OF AGGREGATION-INDUCED EMISSION MATERIALS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-07-21 US disclosed
US-20160211470-A1 COMPOSITION AND SYNTHESIS OF AGGREGATION-INDUCED EMISSION MATERIALS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-07-21 US disclosed
US-20160211470-A1 COMPOSITION AND SYNTHESIS OF AGGREGATION-INDUCED EMISSION MATERIALS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-07-21 US disclosed
US-9005871-B2 Sulfonium derivatives and the use therof as latent acids BASF SE (DE) 2015-04-14 US disclosed
EP-2349993-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2011-08-03 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
WO-2010046240-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2010-04-29 WO 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
EP-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 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 (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-20190284134-A1 SULFONIUM SALT, HEAT- OR PHOTO-ACID GENERATOR, HEAT- OR PHOTO-CURABLE COMPOSITION, AND CURED PRODUCT THEREOF TST, MPST, ASIC1 CYP1A2 3290/4885ATM 1568/4885TDP1 2864/4885
US-11370751-B2 Sulfonium salt, heat- or photo-acid generator, heat- or photo-curable composition, and cured product thereof TST, MPST, ASIC1 CYP1A2 3290/4885ATM 1568/4885TDP1 2864/4885
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 CYP1A2 1515/4885ATM 1334/4885TDP1 3771/4885
US-20160211470-A1 COMPOSITION AND SYNTHESIS OF AGGREGATION-INDUCED EMISSION MATERIALS OCIAD2, ACIN1, JUND CYP1A2 1708/4885ATM 1110/4885TDP1 35/4885

“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.