SCHEMBL59488

SCHEMBL59488

CCCOc1cccc(CC)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 1/20 0.54
DHFR P00374 1/20 0.52
SOD1 P00441 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.50
GGPS1 O95749 1/20 0.47

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
SCHEMBL15295402 0.92 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL11050996 0.90 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL14731232 0.89 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL5251060 0.89 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL9974699 0.87 TSHR (0.65) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL8349049 0.87 TSHR (0.65) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL8057463 0.86 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
1,3-Dipropoxybenzene SCHEMBL73716 0.85 KMT2A (0.63) KDM4EMAPK1TSHRKMT2ADHFR
SCHEMBL3027029 0.85 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL13463064 0.85 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760934-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display element in which the compound is used DIC CORPORATION (JP) 2023-09-19 US disclosed
US-11760934-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display element in which the compound is used DIC CORPORATION (JP) 2023-09-19 US disclosed
US-20200308488-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT IN WHICH THE COMPOUND IS USED DIC CORPORATION (JP) 2020-10-01 US disclosed
US-9808447-B2 Inhibitors of Rho associated protein kinases (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-07 US disclosed
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-23 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-9409868-B2 Inhibitors of rho associated protein kinases (ROCK) and methods of use H. Lee Moffin Cancer Center and Research Institute, Inc. (US) 2016-08-09 US disclosed
US-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 US disclosed
EP-2644599-B1 Method for preparing a 2-halo-4-nitroimidazole compound OTSUKA PHARMA CO LTD (JP) 2014-12-10 EP disclosed
US-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2014-11-13 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-13 US disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
EP-1553088-A1 1-SUBSTITUTED 4-NITROIMIDAZOLE COMPOUND AND PROCESS FOR PRODUCING THE SAME Otsuka Pharmaceutical Company, Limited (JP) 2005-07-13 EP disclosed
US-4459186-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1984-07-10 US disclosed
US-4212710-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4212711-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4148696-A Electrochemical oxidation of activated alkyl aromatic compounds UOP INC. (US) 1979-04-10 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 (6 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-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT KDM4E 2227/4885ALDH1A1 4543/4885SMN1; SMN2 3711/4885
US-11760934-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display element in which the compound is used SFXN1, SFXN3, SIK3 KDM4E 4593/4885ALDH1A1 3883/4885SMN1; SMN2 4341/4885
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same CBR1, CBR3, DCXR KDM4E 1016/4885ALDH1A1 780/4885SMN1; SMN2 4014/4885
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL KDM4E 2085/4885ALDH1A1 1785/4885SMN1; SMN2 3912/4885
US-20200308488-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT IN WHICH THE COMPOUND IS USED SFXN1, SFXN3, SIK3 KDM4E 4593/4885ALDH1A1 3883/4885SMN1; SMN2 4341/4885
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT KDM4E 2227/4885ALDH1A1 4543/4885SMN1; SMN2 3711/4885

“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.