SCHEMBL722868

SCHEMBL722868

CCOP(=O)(CSc1ccccc1)OCC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58
ACHE P22303 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.42
NR1I2 O75469 1/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
AOX1 Q06278 1/20 0.39
FFAR1 O14842 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1331369 1.00 KCNH2 (0.58) KCNH2ACHENPSR1POLBNR1I2
SCHEMBL19822545 0.87 LTA4H (0.46) KCNH2ACHENPSR1ALDH1A1HPGD
SCHEMBL17754399 0.84 KCNH2 (0.40) KCNH2NPSR1MAPTALDH1A1TSHR
SCHEMBL31248444 0.82 CA2 (0.40) KCNH2ACHEPOLBMAPK1MAPT
SCHEMBL11432311 0.82 ALDH1A1 (0.39) KCNH2ACHEPOLBALDH1A1TSHR
SCHEMBL30810994 0.82 MAOA (0.40) KCNH2NPSR1ALDH1A1TSHRMEN1
SCHEMBL29131265 0.82 MEN1 (0.54) KCNH2POLBMAPK1MAPTALDH1A1
SCHEMBL29131330 0.81 MTNR1A (0.42) KCNH2MAPTALDH1A1TSHRKMT2A
SCHEMBL8826150 0.81 KCNH2 (0.53) KCNH2ACHENPSR1POLBNR1I2
SCHEMBL31389228 0.80 KCNH2 (0.41) KCNH2ACHEPOLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120051973-A1 TiO2 NANOSTRUCTURES, MEMBRANES AND FILMS, AND APPLICATIONS OF SAME UNIVERSITY OF ARKANSAS TECHNOLOGY DEVELOPMENT (US) 2012-03-01 US claimed
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US claimed
US-7931812-B2 TiO2 nanostructures, membranes and films, and applications of same UNIVERSITY OF ARKANSAS TECHNOLOGY DEVELOPMENT FOUNDATION (US) 2011-04-26 US claimed
US-20100255583-A1 TiO2 nanostructures, membranes and films, and applications of same UNIVERSITY OF ARKANSAS TECHNOLOGY DEVELOPMENT FOUNDATION (US) 2010-10-07 US claimed
WO-2008060309-A9 TIO2 NANOSTRUCTURES, MEMBRANES AND FILMS, AND APPLICATIONS OF SAME UNIV ARKANSAS TECHNOLOGY DEV F (US) 2009-07-09 WO claimed
EP-1993675-A2 TIO2 NANOSTRUCTURES, MEMBRANES AND FILMS, AND APPLICATIONS OF SAME University Of Arkansas Technology Development Foundation (US) 2008-11-26 EP claimed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP claimed
WO-2008060309-A2 TIO2 NANOSTRUCTURES, MEMBRANES AND FILMS, AND APPLICATIONS OF SAME UNIVERSITY OF ARKANSAS TECHNOLOGY DEVELOPMENT FOUNDATION (US) 2008-05-22 WO claimed
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP claimed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO claimed
EP-4590685-A1 NOVEL STABILIZED NUCLEOSIDE PHOSPHATES AND ANALOGUES THEREOF Janssen Biotech, Inc. (US) 2025-07-30 EP disclosed
WO-2024062413-A1 NOVEL STABILIZED NUCLEOSIDE PHOSPHATES AND ANALOGUES THEREOF JANSSEN BIOTECH, INC. (US) 2024-03-28 WO disclosed
US-20210317083-A1 NOVEL HALO-(3-(PHENYLSULFONYL)PROP-1-ENYL)PYRIDINE DERIVATIVE AND USE THEREOF CUREVERSE INCORPORATED (KR) 2021-10-14 US disclosed
US-10315990-B2 Isothiocyanate compounds and isothiocyanate XPO1 protein inhibitor drugs thereof DRIVINGFORCE THERAPEUTICS (CN) 2019-06-11 US disclosed
US-20180029979-A1 ISOTHIOCYANATE COMPOUND AND APPLICATION THEREOF DRIVINGFORCE THERAPEUTICS Co., Ltd. (CN) 2018-02-01 US disclosed
US-4870079-A ANTICONVULSANTS, ANTAGONISTS OF N-METHYL-D-ASPARTATE MERCK & CO., INC. (US) 1989-09-26 US disclosed
EP-0264183-A1 Derivatives of 5-methyl-10,11-dihydro-5H-dibenzo-(a,d) cyclohepten-5,10-imine MERCK & CO. INC. (US) 1988-04-20 EP disclosed
US-4215069-A INSECTICIDES FMC CORPORATION (US) 1980-07-29 US disclosed
US-4200644-A Arylthiovinylcyclopropanecarboxylate insecticides FMC CORPORATION (US) 1980-04-29 US disclosed
EP-0003420-A1 Arylthiovinylcyclopropanecarboxylate insecticide and intermediates therefor FMC Corporation (US) 1979-08-08 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-10315990-B2 Isothiocyanate compounds and isothiocyanate XPO1 protein inhibitor drugs thereof XPO1, XPOT, XPO4 KCNH2 3539/4885ACHE 4289/4885NPSR1 4344/4885
US-20180029979-A1 ISOTHIOCYANATE COMPOUND AND APPLICATION THEREOF XPO1, XPOT, XPO4 KCNH2 2468/4885ACHE 3826/4885NPSR1 3938/4885
US-20110130482-A1 Process for preparing armatic thiophenyl ketones ACOT7, AGPAT2, COASY KCNH2 2987/4885ACHE 4609/4885NPSR1 3084/4885
US-20210317083-A1 NOVEL HALO-(3-(PHENYLSULFONYL)PROP-1-ENYL)PYRIDINE DERIVATIVE AND USE THEREOF KEAP1, NFE2L2, BACH1 KCNH2 3763/4885ACHE 3979/4885NPSR1 3057/4885

“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.