SCHEMBL98914

SCHEMBL98914

O=COc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
HSPB1 P04792 4/20 0.42
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TRPA1 O75762 2/20 0.38
EPAS1 Q99814 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1997013 0.83 CES2 (0.39) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL18869467 0.80 TAAR1 (0.44)
SCHEMBL10575217 0.79 PKM (0.54) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL27889648 0.79 MRGPRX4 (0.40) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL14864481 0.79 MRGPRX4 (0.40) ALDH1A1HTT
SCHEMBL9775676 0.79 SLC6A2 (0.41) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL2091964 0.79 DGAT1 (0.40) ALDH1A1POLBHTTL3MBTL1TDP1
SCHEMBL9545003 0.78 HSPB1 (0.39) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL1547575 0.78 ALDH1A1 (0.40) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL95849 0.77 NFE2L2 (0.39) ALDH1A1HPGDHTTMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438214-A The preparation method of the bromo- 2,4 difluorobenzene formic acid of high-purity 5- 大连奇凯医药科技有限公司 2019-03-08 CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP claimed
CN-108623447-A A kind of synthetic method of medicine intermediate 2,4 difluorobenzene formic acid 成都中恒华铁科技有限公司 2018-10-09 CN disclosed
US-9608287-B2 Non-aqueous electrolytic solution, electrical storage device utilizing same, and cyclic sulfonic acid ester compound UBE INDUSTRIES, LTD. (JP) 2017-03-28 US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
EP-2701230-B1 NON-AQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING THE SAME, AND TRIFLUOROMETHYLBENZENE COMPOUND UBE INDUSTRIES (JP) 2016-11-23 EP disclosed
US-9472828-B2 Nonaqueous electrolyte solution, electricity storage device using same, and trifluoromethylbenzene compound UBE INDUSTRIES, LTD. (JP) 2016-10-18 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
US-9236635-B2 Non-aqueous electrolyte and electricity storage device using same UBE INDUSTRIES, LTD. (JP) 2016-01-12 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP disclosed
US-5021412-A Protecting agricultural crops MITSUI TOATSU CHEMICALS, INC. (JP) 1991-06-04 US disclosed
EP-0354297-A1 Thiadiazines, process for production thereof, and insecticidal and acaricidal agents comprising the thiadiazines MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-02-14 EP disclosed
US-4093812-A MICROBIOCIDES, DISINFECTANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1978-06-06 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 (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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 ALDH1A1 596/4885MEN1 3576/4885HPGD 2381/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885MEN1 3912/4885HPGD 2322/4885

“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.