SCHEMBL168726

SCHEMBL168726

O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CC2C=CC1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 3/20 0.40
POLB P06746 3/20 0.38
HSD17B10 Q99714 2/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL29596442 0.99 ALDH1A1 (0.41) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12250700 0.99 ALDH1A1 (0.41) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12250694 0.86 ALDH1A1 (0.44) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12250697 0.85 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL30956304 0.85 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL15610981 0.85 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12250699 0.85 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12198884 0.85 ALDH1A1 (0.46) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL13645141 0.84 ALDH1A1 (0.44) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12198890 0.83 ALDH1A1 (0.41) ALDH1A1RAB9AKMT2APOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611842-A1 INTERLAYER FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2013-07-10 EP disclosed
EP-2611841-A1 GATE INSULATOR LAYER FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2013-07-10 EP disclosed
WO-2012028278-A1 INTERLAYER FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed
WO-2012028279-A1 GATE INSULATOR LAYER FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed
US-8043788-B2 Alkali soluble resin; immersion lithography SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-10-25 US disclosed
WO-2011127014-A1 NORBORNENE-TYPE POLYMERS, COMOSITIONS THEREOF AND LITHOGRAPHIC PROCESS USING SUCH COMPOSITIONS PROMERUS LLC (US) 2011-10-13 WO disclosed
EP-1853972-B1 NORBORNENE-TYPE POLYMERS AND THEIR MANUFACTURE PROCESS PROMERUS LLC (US) 2011-07-20 EP disclosed
US-7799883-B2 copolymerizing norbornene monomers containing ester groups, sulonamide groups, ethers, alcohols in presence of (Acetonitrile) bis(triisopropylphosphine)palladium(acetate) tetrakis (pentafluorophenyl)borate catalyst and an optional cocatalyst lithium tetrakis(pentafluorophenyl)borate diethyl etherate PROMERUS LLC (US) 2010-09-21 US disclosed
US-20100099906-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES PROMERUS LLC (US) 2010-04-22 US disclosed
US-7662996-B2 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization PROMERUS, LLC (US) 2010-02-16 US disclosed
US-7598016-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-06 US disclosed
US-7569323-B2 Resist protective coating material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20090118539-A1 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization PROMERUS, LLC (US) 2009-05-07 US disclosed
US-7514204-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-04-07 US disclosed
US-20090011365-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-01-08 US disclosed
WO-2008121804-A1 USE OF A COMBINATION CHAIN TRANSFER AND ACTIVATING AGENT TO CONTROL MOLECULAR WEIGHT AND OPTICAL DENSITY OF PD CATALYZED NORBORNENE POLYMERS PROMERUS LLC (US) 2008-10-09 WO disclosed
US-20080241736-A1 Immersion lithography; copolymer containing ammonium salt of carboxylic acid and fluorine monomer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-10-02 US disclosed
US-20080096131-A1 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-04-24 US disclosed
US-20070026341-A1 Resist protective coating material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-02-01 US 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-20090118539-A1 forming diastereomeric mixture of norbornenecarbonitrile via Diels-Alder reaction, separating, converting to diastereomeric norbornenecarboxaldehyde, and norbornenecarboxylic acid and alcohol; methathesis ring-opening polymerization MMAB, ADH1C, OXER1 ALDH1A1 50/4885RAB9A 3938/4885KMT2A 3299/4885
US-20100099906-A1 GENERATION OF ENDO- AND/OR EXO-NORBORNENECARBOXALDEHYDE AS AN INTERMEDIATE TO FUNCTIONALIZED NORBORNENES GNE, GALE, EXOSC5 ALDH1A1 230/4885RAB9A 2301/4885KMT2A 3465/4885

“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.