SCHEMBL2088074

SCHEMBL2088074

CCOC(=O)c1cnn(CC)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
HPGD P15428 7/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRPC1 P48995 1/20 0.50
TRPC3 Q13507 1/20 0.50
STIM1 Q13586 1/20 0.50
ORAI1 Q96D31 1/20 0.50
STIM2 Q9P246 1/20 0.50
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 2/20 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
SCHEMBL2089336 0.89 KDM4E (0.48) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL29821194 0.87 KDM4E (0.47) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL26125245 0.87 KDM4E (0.47) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL13126505 0.87 ALDH1A1 (0.50) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL1406947 0.87 LMNA (0.60) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL4717605 0.86 KDM4E (0.47) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL2088511 0.86 KDM4E (0.47) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL21408534 0.86 KDM4E (0.47) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL23039063 0.85 KDM4E (0.46) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL4218274 0.85 KDM4E (0.46) KDM4EHPGDALDH1A1MAPTL3MBTL1

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-2894150-B1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYLPYRAZOLE-4-CARBOXYLIC ACID ESTER TAMA KAGAKU KOGYO CO LTD (JP) 2017-05-17 EP disclosed
US-20150218105-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYLPYRAZOLE-4-CARBOXYLIC ACID ESTER TAMA KAGAKU KOGYO CO., LTD. (JP) 2015-08-06 US disclosed
EP-2894150-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYLPYRAZOLE-4-CARBOXYLIC ACID ESTER Tama Kagaku Kogyo Co., Ltd. (JP) 2015-07-15 EP disclosed
EP-1854788-B1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE SAGAMI CHEM RES (JP) 2012-06-13 EP disclosed
EP-1854788-B1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE SAGAMI CHEM RES (JP) 2012-06-13 EP disclosed
US-7863460-B2 Process for producing 1-substituted-3-fluoroalkylpyrazole-4-carboxylate SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-01-04 US disclosed
US-7863460-B2 Process for producing 1-substituted-3-fluoroalkylpyrazole-4-carboxylate SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-01-04 US disclosed
US-7863460-B2 Process for producing 1-substituted-3-fluoroalkylpyrazole-4-carboxylate SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-01-04 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
US-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate SAGAMI CHEMICAL RESEARCKH CENTER (JP) 2008-06-26 US disclosed
US-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate SAGAMI CHEMICAL RESEARCKH CENTER (JP) 2008-06-26 US disclosed
US-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate SAGAMI CHEMICAL RESEARCKH CENTER (JP) 2008-06-26 US disclosed
EP-1854788-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2007-11-14 EP disclosed
EP-1854788-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2007-11-14 EP disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 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 (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-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate CYP4Z1, CYP3A4, HACL2 KDM4E 1021/4885HPGD 1081/4885ALDH1A1 69/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 KDM4E 1271/4885HPGD 1388/4885ALDH1A1 271/4885
US-20150218105-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYLPYRAZOLE-4-CARBOXYLIC ACID ESTER CA3, CA7, CA4 KDM4E 352/4885HPGD 2287/4885ALDH1A1 571/4885

“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.