SCHEMBL9010816

SCHEMBL9010816

C=C(CCC)COC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
FAAH O00519 1/20 0.40
TSHR P16473 4/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
THRB P10828 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
SCHEMBL11797751 0.87 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10FAAHTSHR
SCHEMBL11142138 0.84 FAAH (0.51) ALDH1A1HSD17B10FAAHTSHRCES2
SCHEMBL4879802 0.84 FAAH (0.51) ALDH1A1HSD17B10FAAHTSHRCES2
SCHEMBL4883613 0.84 FAAH (0.51) ALDH1A1HSD17B10FAAHTSHRCES2
SCHEMBL8612369 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10FAAHTSHR
SCHEMBL21986928 0.82 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10FAAHTSHR
Alcohol SCHEMBL28292678 0.81 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10FAAHTSHR
SCHEMBL9012179 0.81
SCHEMBL17865658 0.80 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10FAAHTSHR
SCHEMBL17865669 0.80 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024574-A1 DNA SEQUENCING WITH NON-FLUORESCENT NUCLEOTIDE REVERSIBLE TERMINATORS AND CLEAVABLE LABEL MODIFIED NUCLEOTIDE TERMINATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-01-28 US disclosed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US disclosed
EP-0243160-B2 Blocked isocyanatocarbonyl group-containing polymers NIPPON PAINT CO LTD (JP) 1996-11-13 EP disclosed
US-5274062-A An N-(substituted oxalyl)-halopropionamide NIPPON PAINT CO., LTD. (JP) 1993-12-28 US disclosed
US-5208308-A N-Oxalyl-Substituted NIPPON PAINT CO., LTD. (JP) 1993-05-04 US disclosed
US-4970281-A COATINGS, ADHESIVES, MOLDING NIPPON PAINT CO., LTD. (JP) 1990-11-13 US disclosed
US-4956491-A MONOMERS FOR RESINS USED IN COATINGS, ADHESIVES OR MOLDING MATERIALS NIPPON PAINT CO., LTD. (JP) 1990-09-11 US disclosed
US-4914225-A MOLDING MATERIALS, COATINGS, ADHESIVES NIPPON PAINT CO., LTD. (JP) 1990-04-03 US disclosed
US-4816537-A COATINGS, AUTOMOBILES NIPPON PAINT CO., LTD. (JP) 1989-03-28 US disclosed
EP-0243208-A2 Acrylamide derivatives and their polymers Nippon Paint Co., Ltd. (JP) 1987-10-28 EP disclosed
EP-0243207-A2 Alpha-alkylacrylamide derivatives and their polymers Nippon Paint Co., Ltd. (JP) 1987-10-28 EP disclosed
EP-0243160-A2 Blocked isocyanatocarbonyl group-containing polymers Nippon Paint Co., Ltd. (JP) 1987-10-28 EP disclosed
EP-0015230-B1 STABILIZED ORGANIC POLYMER COMPRISING 2-(2-HYDROXY-3,5-DI-TERT-OCTYLPHENYL)-2H-BENZOTRIAZOLE AS A LIGHT-STABILIZER CIBA-GEIGY AG (CH) 1983-02-23 EP disclosed
US-3949007-A METAL HYDROXIDE OR ALKOXIDE CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 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 (1 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 ALDH1A1 160/4885LMNA 3752/4885HSD17B10 317/4885

“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.