SCHEMBL98913

SCHEMBL98913

O=[C]Oc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 2/20 0.38
AR P10275 1/20 0.37
EPAS1 Q99814 1/20 0.37
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2091962 0.79 DGAT1 (0.40) ALDH1A1HPGDKMT2APOLBTDP1
SCHEMBL22926401 0.78 AR (0.44) HSPB1CES2CES1ALDH1A1TRPA1
SCHEMBL95848 0.77 PARP10 (0.39) HSPB1CES2CES1ALDH1A1MEN1
SCHEMBL10456772 0.74 TRPA1 (0.56) HSPB1ALDH1A1TRPA1AREPAS1
SCHEMBL14659143 0.71 CES2 (0.37) CES2CES1
SCHEMBL96955 0.71 KMT2A (0.48) HSPB1ALDH1A1TRPA1MEN1HPGD
SCHEMBL16392368 0.70 IDO1 (0.48) HSPB1ALDH1A1TRPA1
SCHEMBL1484426 0.70 IDO1 (0.43) HSPB1CES2CES1ALDH1A1TRPA1
SCHEMBL22060037 0.70 ALDH1A1 (0.42) HSPB1CES2CES1ALDH1A1TRPA1
SCHEMBL20384403 0.70 TRPA1 (0.45) HSPB1ALDH1A1TRPA1EPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
EP-2704246-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTRICAL STORAGE DEVICE UTILIZING SAME, AND CYCLIC SULFONIC ACID ESTER COMPOUND Ube Industries, Ltd. (JP) 2014-03-05 EP disclosed
EP-2701230-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND TRIFLUOROMETHYLBENZENE COMPOUND Ube Industries, Ltd. (JP) 2014-02-26 EP disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 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 (4 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 HSPB1 3376/4885CES2 673/4885CES1 1655/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB HSPB1 906/4885CES2 4459/4885CES1 2322/4885
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 HSPB1 3125/4885CES2 83/4885CES1 624/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HSPB1 4141/4885CES2 4704/4885CES1 2850/4885

“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.