SCHEMBL476649

SCHEMBL476649

[CH2]c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CES2 O00748 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
IDO1 P14902 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL27852972 0.91 RXRA (0.33) RXRARXRBRXRGCES2
SCHEMBL825745 0.84 CES2 (0.46) RXRARXRBRXRGCES2IDO1
SCHEMBL4461544 0.81 CES2 (0.48) RXRARXRBRXRGCES2HDAC3
SCHEMBL16958624 0.78 GABRA1 (0.37)
SCHEMBL435283 0.74
SCHEMBL15516021 0.73 NOTUM (0.43) CES2IDO1
SCHEMBL5724469 0.73 PTGS1 (0.39) CES2IDO1
SCHEMBL7662027 0.73 RAPGEF4 (0.41) CES2HDAC3HDAC1HDAC2HDAC6
SCHEMBL16957508 0.73 RAPGEF4 (0.42) CES2
SCHEMBL27650524 0.73 TSHR (0.46) CES2IDO1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206748-A PCB electroplating additive and preparation method thereof 广东利尔化学有限公司 2024-06-18 CN claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
EP-3547414-B1 LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG ENERGY SOLUTION LTD (KR) 2023-09-13 EP claimed
CN-115650926-A Azole selenone functional reagent and application thereof 华南农业大学 2023-01-31 CN claimed
CN-115508298-A High-sensitivity aqueous singlet oxygen nano probe based on DPBF, preparation method and application 常州大学 2022-12-23 CN claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
CN-110577563-B Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2020-09-04 CN claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
CN-110577563-A Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2019-12-17 CN claimed
CN-105980387-B Serine/threonine kinase inhibitor 阵列生物制药公司 2019-04-19 CN claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
CN-1547584-A Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods 2004-11-17 CN claimed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP claimed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-5916920-A CONTROLLING NEUROTRANSMITTER RECPETORS; NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1999-06-29 US claimed
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 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 (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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 RXRA 2193/4885RXRB 2566/4885RXRG 2127/4885

“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.