SCHEMBL504216

SCHEMBL504216

O=C(O)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
FABP4 P15090 1/20 0.44
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
TYK2 P29597 1/20 0.42
NFKB1 P19838 1/20 0.42
DAO P14920 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
KMO O15229 2/20 0.41
RXRA P19793 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
SCHEMBL23908702 0.91 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL21518072 0.90 CES2 (0.48) ALDH1A1HPGDTAS2R14
SCHEMBL2964734 0.87 TAS2R14 (0.51) ALDH1A1HPGDTAS2R14LMNAGAA
SCHEMBL503596 0.87 CES2 (0.50) ALDH1A1HPGDTAS2R14
SCHEMBL24277954 0.87 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1505171 0.86 TDP1 (0.47) ALDH1A1HPGDTAS2R14GAAPLK1
SCHEMBL283130 0.86 HSD17B10 (0.41) CA12CA1CA2CA7CA9
SCHEMBL3374645 0.86 TAS2R14 (0.46) CA12CA1CA2CA7CA9
SCHEMBL784920 0.86 TYK2 (0.55) ALDH1A1TYK2
SCHEMBL27075282 0.86 TAS2R14 (0.50) ALDH1A1HPGDTAS2R14LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947767-B Method for synthesizing 1, 3-dithioglucoside by one-pot relay glycosylation 江西师范大学 2025-06-24 CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 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
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
EP-3057151-A1 PRINCIPAL GROUP METAL COMPLEXES AS P DOTANDS FOR ORGANIC ELECTRONIC MATRIX MATERIALS Siemens Aktiengesellschaft (DE) 2016-08-17 EP claimed
EP-2627628-B1 NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM INST CHEMII ORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2015-04-15 EP claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
WO-2012050465-A1 NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2012-04-19 WO claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
EP-0187462-B1 SUPPORTED OLEFIN POLYMERIZATION CATALYST AMOCO CORPORATION (US) 1990-04-25 EP 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 (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-20170098787-A1 MAIN GROUP METAL COMPLEXES AS P-DOPANTS FOR ORGANIC ELECTRONIC MATRIX MATERIALS SCO2, SOD3, NCOA3 CA12 4145/4885CA1 4196/4885CA2 4397/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 CA12 22/4885CA1 102/4885CA2 32/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 CA12 891/4885CA1 139/4885CA2 664/4885

“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.