SCHEMBL172020

SCHEMBL172020

C=C(C)C(=O)SC1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL7074038 0.88 TDP1 (0.32)
SCHEMBL7074040 0.86 TDP1 (0.31)
SCHEMBL7073928 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8788775 0.77 CES2 (0.38) CES2CES1EPHX1ALDH1A1NPC1
SCHEMBL8789579 0.77 CES2 (0.38) CES2CES1EPHX1ALDH1A1NPC1
SCHEMBL2142264 0.77 CES2 (0.38) CES2CES1EPHX1ALDH1A1NPC1
SCHEMBL7741433 0.76 ALDH1A1 (0.34) CES2CES1EPHX1ALDH1A1NPC1
SCHEMBL7076405 0.75
SCHEMBL17322712 0.75 CES2 (0.36) CES2CES1EPHX1ALDH1A1NPC1
SCHEMBL2769180 0.74 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9159356-B2 Non-resonant two-photon absorption recording material, non-resonant polymer two-photon absorption optical information recording medium, and recording/reproducing method FUJIFILM CORPORATION (JP) 2015-10-13 US disclosed
US-20140078878-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, NON-RESONANT POLYMER TWO-PHOTON ABSORPTION OPTICAL INFORMATION RECORDING MEDIUM, AND RECORDING/REPRODUCING METHOD FUJIFILM CORPORATION (JP) 2014-03-20 US disclosed
EP-2426154-A1 Photosensitive composition, pattern forming method using the photosensitive composition and compound for use in the photosensitive composition Fujifilm Corporation (JP) 2012-03-07 EP disclosed
EP-2043096-B1 Two-photon absorption recording material containing dye having polymerizable group FUJIFILM CORP (JP) 2011-03-16 EP disclosed
US-20090088490-A1 TWO-PHOTON ABSORPTION RECORDING MATERIAL CONTAINING DYE HAVING POLYMERIZABLE GROUP FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-2043096-A1 Two-photon absorption recording material containing dye having polymerizable group FUJIFILM Corporation (JP) 2009-04-01 EP disclosed
US-7112616-B2 Two-photon absorbing polymerizable composition and polymerization process thereof FUJI PHOTO FILM CO., LTD. (JP) 2006-09-26 US disclosed
US-20040204513-A1 Two-photon absorbing polymerizable composition and polymerization process thereof FUJI PHOTO FILM CO., LTD. 2004-10-14 US disclosed
US-20030153704-A1 Polymer-coated metal composites by dip autopolymerization BELL JAMES P (US) 2003-08-14 US disclosed
US-6555239-B1 Dipping the metal substrate in an acidic solution of 4-carboxyphenyl maleimide, and n-phenyl maleimide, 2-(methacryloyloxy)ethyl acetoacetate, methyl methacrylate or acrylonitrile for a time in the absence of other catalysts THE UNIVERSITY OF CONNECTICUT 2003-04-29 US disclosed
EP-1154866-A1 POLYMER-COATED METAL COMPOSITES BY DIP AUTOPOLYMERIZATION The University of Connecticut (US) 2001-11-21 EP disclosed
EP-0917495-A4 COMPOSITION AND METHOD FOR COATING METALS BY DIP AUTOPOLYMERIZATION UNIV CONNECTICUT (US) 2001-04-25 EP disclosed
WO-2000048750-A1 POLYMER-COATED METAL COMPOSITES BY DIP AUTOPOLYMERIZATION UNIVERSITY OF CONNECTICUT (US) 2000-08-24 WO disclosed
EP-0917495-A1 COMPOSITION AND METHOD FOR COATING METALS BY DIP AUTOPOLYMERIZATION THE UNIVERSITY OF CONNECTICUT (US) 1999-05-26 EP disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
US-5807612-A FORMING DECORATIVE OR PROTECTIVE OVERCOATING THE UNIVERSITY OF CONNECTICUT (US) 1998-09-15 US disclosed
WO-1998005436-A1 COMPOSITION AND METHOD FOR COATING METALS BY DIP AUTOPOLYMERIZATION THE UNIVERSITY OF CONNECTICUT (US) 1998-02-12 WO disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO 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-20090088490-A1 TWO-PHOTON ABSORPTION RECORDING MATERIAL CONTAINING DYE HAVING POLYMERIZABLE GROUP DCX, SLC18A2, KCNN2 CES2 921/4885CES1 4594/4885EPHX1 2897/4885
US-20140078878-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, NON-RESONANT POLYMER TWO-PHOTON ABSORPTION OPTICAL INFORMATION RECORDING MEDIUM, AND RECORDING/REPRODUCING METHOD PUF60, PARG, FHIT CES2 2713/4885CES1 4743/4885EPHX1 4408/4885

“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.