SCHEMBL3309552

SCHEMBL3309552

CCCCOCCCOc1ccc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
KDM4E B2RXH2 2/20 0.70
MAPK1 P28482 1/20 0.70
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HRH3 Q9Y5N1 3/20 0.53
DRD3 P35462 1/20 0.53
AGXT P21549 2/20 0.52
PPARG P37231 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
HTT P42858 1/20 0.50
LTA4H P09960 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL29666114 0.93 TDP1 (0.68) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL470925 0.93 TDP1 (0.68) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL9576090 0.89 KDM4E (0.63) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL10587825 0.87 KDM4E (0.61) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL5374714 0.87 KDM4E (0.61) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL11077065 0.87 KDM4E (0.61) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL758205 0.87 KDM4E (0.61) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL22753136 0.87 KDM4E (0.61) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL8746015 0.87 KDM4E (0.61) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL30186210 0.87 KDM4E (0.61) TDP1KDM4EMAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824805-B1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS FUTURECHEM CO LTD (KR) 2020-02-12 EP disclosed
CN-101094824-B Method for preparation of organofluoro compounds in alcohol solvents FUTURECHEM CO LTD (KR) 2011-07-27 CN disclosed
US-7847092-B2 Method for preparation of F-18 containing organofluoro compounds in alcohol solvents FUTURECHEM CO., LTD. (KR) 2010-12-07 US disclosed
US-20100113763-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS FUTURECHEM CO., LTD. (KR) 2010-05-06 US disclosed
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents FUTURECHEM CO., LTD. (KR) 2008-07-17 US disclosed
CN-101094824-A Method for preparation of organofluoro compounds in alcohol solvents ASAN FOUNDATION (KR) 2007-12-26 CN disclosed
EP-1824805-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS Futurechem Co., Ltd. (KR) 2007-08-29 EP disclosed
WO-2006065038-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS FUTURECHEM CO., LTD. (KR) 2006-06-22 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 (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-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents ADH5, ADH1C, ADH1A TDP1 2689/4885KDM4E 2630/4885MAPK1 2331/4885
US-20100113763-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS AFF1, AFF4, PFAS TDP1 2415/4885KDM4E 1931/4885MAPK1 1832/4885

“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.