SCHEMBL1421628

SCHEMBL1421628

O=C(O)c1cc(F)cc(F)c1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.71
CES1 P23141 7/20 0.71
KEAP1 Q14145 2/20 0.47
KDM4E B2RXH2 2/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALB P02768 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TTR P02766 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
DHFR P00374 1/20 0.41
LMNA P02545 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CXCL12 P48061 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6138722 0.87 CES2 (0.56) CES2CES1KEAP1KDM4EASPH
SCHEMBL9693312 0.83 CES2 (0.74) CES2CES1KEAP1CA1CA2
SCHEMBL477822 0.81 CES2 (0.71) CES2CES1KEAP1CA1CA2
SCHEMBL29695966 0.79 AKR1C2 (0.58) CES2CES1KEAP1KDM4EASPH
SCHEMBL2791251 0.79 AKR1C2 (0.58) CES2CES1KEAP1KDM4EASPH
SCHEMBL16759605 0.79 KDM4E (0.50) CES2CES1KEAP1KDM4EASPH
SCHEMBL8466122 0.79 CES2 (0.50) CES2CES1KEAP1KDM4EASPH
SCHEMBL935368 0.79 CA1 (0.45) CES2CES1KEAP1KDM4EASPH
SCHEMBL29467941 0.79 CES2 (0.68) CES2CES1CA1CA2ERN1
SCHEMBL363749 0.79 CES2 (0.68) CES2CES1CA1CA2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956877-A Preparation of organic fluorine-containing carbon quantum dot with near-infrared excitation/emission property 重庆医科大学 2022-01-21 CN claimed
CN-107681052-B Main group metal complexes as p-dopants for organic electronic matrix materials 西门子公司 2020-03-24 CN claimed
US-10483466-B2 P-doping cross-linking of organic hole transporters SIEMENS AKTIENGESELLSCHAFT (DE) 2019-11-19 US claimed
EP-3114715-B1 P-DOPING CROSS-LINKING OF ORGANIC HOLE TRANSPORTERS SIEMENS AG (DE) 2019-10-30 EP claimed
US-20180198069-A1 P-Doping Cross-Linking Of Organic Hole Transporters SIEMENS AKTIENGESELLSCHAFT (DE) 2018-07-12 US claimed
CN-107681052-A The main group metal complex compound of p dopants as organic electronic matrix material 西门子公司 2018-02-09 CN claimed
EP-3057151-B1 BISMUTH AND TIN COMPLEXES AS P DOTANDS FOR ORGANIC ELECTRONIC MATRIX MATERIALS SIEMENS AG (DE) 2018-01-31 EP claimed
US-20170098787-A1 MAIN GROUP METAL COMPLEXES AS P-DOPANTS FOR ORGANIC ELECTRONIC MATRIX MATERIALS SIEMENS AKTIENGESELLSCHAFT (DE) 2017-04-06 US claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-7410011-B2 Method to determine the concentration of deuterium oxide in a subterranean formation CORE LABORATORIES LP (US) 2008-08-12 US claimed
US-20070215385-A1 Method to determine the concentration of deuterium oxide in a subterranean formation CORE LABORATORIES LP (US) 2007-09-20 US claimed
US-20060144588-A1 Method for determining tracer concentration in oil and gas production fluids CORE LABORATORIES LP (US) 2006-07-06 US claimed
WO-2006047478-A2 METHOD FOR DETERMINING TRACER CONCENTRATION IN OIL AND GAS PRODUCTION FLUIDS CORE LABORATORIES, L.P. (US) 2006-05-04 WO claimed
US-7032662-B2 Method for determining the extent of recovery of materials injected into oil wells or subsurface formations during oil and gas exploration and production CORE LABORATORIES LP (US) 2006-04-25 US claimed
US-20040094297-A1 Method for determining the extent of recovery of materials injected into oil wells or subsurface formations during oil and gas exploration and production CORE LABORATORIES LP 2004-05-20 US claimed
US-6659175-B2 Mixing water, buffers, oxidizers, gels, gelation inhibitors, stabilizer and curing agents with tracers, then pumping the mixtures into bores, withdrawing fluids and measuring concentration of labels; well completion efficiency CORE LABORATORIES, INC. 2003-12-09 US claimed
US-20030006036-A1 Mixing water, buffers, oxidizers, gels, gelation inhibitors, stabilizer and curing agents with tracers, then pumping the mixtures into bores, withdrawing fluids and measuring concentration of labels; well completion efficiency CORE LABORATORIES GLOBAL N.V. (NL) 2003-01-09 US claimed
WO-2002095189-A1 METHOD OF DETERMINING THE EXTENT OF RECOVERY OF MATERIALS INJECTED INTO OIL WELLS CORE LABORATORIES L.P. (US) 2002-11-28 WO claimed
US-5336806-A Forming salt with hydroxide, precipitating, filtering, washing, dissolving, passing over activated carbon, and adding strong mineral acid OCCIDENTAL CHEMICAL CORPORATION (US) 1994-08-09 US claimed
US-H992-H Using copper catalyst in quinoline or n-methyl-2-pyrrolidone OCCIDENTAL CHEMICAL CORPORATION (US) 1991-11-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170098787-A1 MAIN GROUP METAL COMPLEXES AS P-DOPANTS FOR ORGANIC ELECTRONIC MATRIX MATERIALS SCO2, SOD3, NCOA3 CES2 3153/4885CES1 3684/4885KEAP1 907/4885

“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.