SCHEMBL535459

SCHEMBL535459

[CH2]COc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAOB P27338 3/20 0.53
AOC3 Q16853 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
NR4A2 P43354 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GRM2 Q14416 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL72484 0.85 L3MBTL1 (0.59) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL7433998 0.84 L3MBTL1 (0.57) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL30167649 0.82 L3MBTL1 (0.55) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL3920009 0.81 SOD1 (0.53) L3MBTL1KDM4ELMNAPKMNR4A2
SCHEMBL8764656 0.81 L3MBTL1 (0.54) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL5953372 0.81 L3MBTL1 (0.71) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL10043036 0.81 L3MBTL1 (0.54) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL3250233 0.81 L3MBTL1 (0.54) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL2093117 0.81 KDM4E (0.58) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL2093115 0.81 KDM4E (0.58) L3MBTL1KDM4EMAOBAOC3MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189641-A1 Novel 6-phenlyphenanthridines NYCOMED GMBH (DE) 2006-08-24 US claimed
EP-1658271-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA Pharma AG (DE) 2006-05-24 EP claimed
WO-2005012253-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2005-02-10 WO claimed
US-5120849-A Reacting cyclic imidoether with aminoalcohol BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US claimed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2144898-B1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2012-02-08 EP disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
US-7501530-B2 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-03-10 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0384973-A2 Heterocyclic compounds, method for preparing the same and herbicidal compositions containing the compounds as effective components AGRO-KANESHO CO., LTD. (JP) 1990-09-05 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4880933-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-11-14 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0244786-A1 Process for preparing 0-substituted hydroxylamines BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
EP-0167068-A2 Isopropyl-2[2-(3-trifluoromethylphenoxy)ethyl]ester of 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylic acid, process for its preparation, and its use as a medicine BAYER AG (DE) 1986-01-08 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 (3 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-20060189641-A1 Novel 6-phenlyphenanthridines PDE4A, PDE4B, PDE4C L3MBTL1 3259/4885KDM4E 663/4885MAOB 516/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 L3MBTL1 818/4885KDM4E 4205/4885MAOB 1907/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 L3MBTL1 3467/4885KDM4E 2297/4885MAOB 393/4885

“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.