SCHEMBL1531985

SCHEMBL1531985

O=C(O)CCCOON1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.50
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
PPARD Q03181 1/20 0.42

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
SCHEMBL1532120 0.95 PPARG (0.46) PPARGALDH1A1CYP1A2CYP2C9CA12
SCHEMBL26480 0.94 PPARG (0.45) PPARGALDH1A1CYP1A2CYP2C9CA12
SCHEMBL1532004 0.94 PPARG (0.45) PPARGALDH1A1CYP1A2CYP2C9CA12
SCHEMBL8980779 0.90 ALDH1A1 (0.50) PPARGALDH1A1CYP1A2CYP2C9CA12
SCHEMBL4339878 0.87 PPARG (0.40) PPARGALDH1A1CYP1A2CYP2C9CA12
SCHEMBL18262805 0.84 GAA (0.59) PPARGALDH1A1CYP1A2CYP2C9CA12
Hexanoate SCHEMBL27567437 0.80 AKR1B1 (0.48) PPARGALDH1A1CYP1A2CYP2C9HSD17B10
SCHEMBL14690385 0.79 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CA12CA9
SCHEMBL2558508 0.79 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CA12CA9
SCHEMBL16456622 0.78 ASAH1 (0.44) ALDH1A1KDM4EPOLBHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021449-B1 ENCAPSULATED BLEACHING AGENT PARTICLES HENKEL AG & CO KGAA (DE) 2013-01-16 EP claimed
US-7897557-B2 Encapsulated bleaching agent particles HENKEL AG & CO. KGAA (DE) 2011-03-01 US claimed
US-20090075856-A1 Encapsulated Bleaching Agent Particles HENKEL AG & CO. KGAA (DE) 2009-03-19 US claimed
US-20070093402-A1 Bleaching agent particles encapsulated in a water soluble material HENKEL AG & CO. KGAA (DE) 2007-04-26 US claimed
US-10093621-B2 4-oxo-N-(4-hydroxyphenyl)retinamide derivatives as therapeutic agents for the treatment of cancer FONDAZIONE IRCCS INSTITUTO NAZIONALE DEI TUMORI (IT) 2018-10-09 US disclosed
EP-3194360-B1 4-OXO-N-(4-HYDROXYPHENYL)RETINAMIDE DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER FONDAZIONE IRCCS ISTITUTO NAZ DEI TUMORI (IT) 2018-06-27 EP disclosed
US-20170253560-A1 4-OXO-N-(4-HYDROXYPHENYL)RETINAMIDE DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER FONDAZIONE IRCCS ISTITUTO NAZIONALE DEI TUMORI (IT) 2017-09-07 US disclosed
EP-3194360-A1 4-OXO-N-(4-HYDROXYPHENYL)RETINAMIDE DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER Fondazione IRCCS Istituto Nazionale dei Tumori (IT) 2017-07-26 EP disclosed
WO-2016042010-A1 4-OXO-N-(4-HYDROXYPHENYL)RETINAMIDE DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER FONDAZIONE IRCCS ISTITUTO NAZIONALE DEI TUMORI (IT) 2016-03-24 WO disclosed
US-20140171328-A1 NOVEL COMPOSITE REVOLYMER (U.K.) LIMITED (GB) 2014-06-19 US disclosed
US-20140171327-A1 NOVEL COMPOSITE REVOLYMER (U.K.) LIMITED (GB) 2014-06-19 US disclosed
EP-2697355-A1 PARTICLES WITH HYDROXYL VINYLIC COPOLYMER COATING SENSITIVE TO IONIC STRENGTH Revolymer Limited (GB) 2014-02-19 EP disclosed
US-20100144579-A1 Color-Safe Detergent or Cleaning Agent having Optical Brightener HENKEL AG & CO. KGAA (DE) 2010-06-10 US disclosed
US-20100081603-A1 BLEACH-CONTAINING DETERGENT OR CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2010-04-01 US disclosed
US-20090075856-A1 Encapsulated Bleaching Agent Particles HENKEL AG & CO. KGAA (DE) 2009-03-19 US disclosed
US-20070117735-A1 Liquid detergent or cleansing composition containing a water-soluble, encapsulated bleaching agent HENKEL AG & CO. KGAA (DE) 2007-05-24 US disclosed
US-20070093402-A1 Bleaching agent particles encapsulated in a water soluble material HENKEL AG & CO. KGAA (DE) 2007-04-26 US disclosed
US-20050227896-A1 Multicomponent liquid detergent HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-10-13 US disclosed
EP-0711277-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1996-05-15 EP disclosed
WO-1995003276-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER N.V. (NL) 1995-02-02 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 (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-20140171327-A1 NOVEL COMPOSITE PUF60, C5, VCL PPARG 4783/4885ALDH1A1 3641/4885CYP1A2 3685/4885
US-10093621-B2 4-oxo-N-(4-hydroxyphenyl)retinamide derivatives as therapeutic agents for the treatment of cancer ALDH1A2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RB1 PPARG 4315/4885ALDH1A1 152/4885CYP1A2 2936/4885
US-20170253560-A1 4-OXO-N-(4-HYDROXYPHENYL)RETINAMIDE DERIVATIVES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER ALDH1A2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RB1 PPARG 4315/4885ALDH1A1 152/4885CYP1A2 2936/4885
US-20140171328-A1 NOVEL COMPOSITE VMA21, PUF60, PLA2G2C PPARG 4661/4885ALDH1A1 3425/4885CYP1A2 3646/4885

“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.