SCHEMBL3279035

SCHEMBL3279035

OCc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
IDO1 P14902 2/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
KIF11 P52732 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CYP3A4 P08684 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.36
ACHE P22303 1/20 0.36
MTOR P42345 1/20 0.36
CES2 O00748 1/20 0.35
VNN1 O95497 2/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL29876769 1.00 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL265486 0.86 IDO1 (0.52) RXRARXRBRXRGIDO1PRKCA
SCHEMBL1295021 0.83 RXRA (0.41) RXRARXRBRXRGIDO1CYP3A4
SCHEMBL31749633 0.83 RXRA (0.41) RXRARXRBRXRGIDO1CYP3A4
SCHEMBL1434343 0.83 IDO1 (0.41) RXRARXRBRXRGIDO1CYP3A4
SCHEMBL12871594 0.81 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL17414241 0.81 CYP4F2 (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16952393 0.80 RXRA (0.40) RXRARXRBRXRGIDO1CYP3A4
SCHEMBL31322665 0.79 CYP4F2 (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL43211 0.78 IDO1 (0.45) RXRARXRBRXRGIDO1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115508298-B DPBF-based high-sensitivity water-based singlet oxygen nano probe, preparation method and application 常州大学 2025-02-28 CN claimed
EP-3664213-B1 ELECTROLYTE FOR LITHIUM METAL BATTERY AND LITHIUM METAL BATTERY COMPRISING SAME LG ENERGY SOLUTION LTD (KR) 2023-09-13 EP claimed
EP-3547414-B1 LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG ENERGY SOLUTION LTD (KR) 2023-09-13 EP 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
US-11495824-B2 Electrolyte for lithium metal battery and lithium metal battery comprising same LG ENERGY SOLUTION, LTD. (KR) 2022-11-08 US claimed
CN-110192294-B Lithium electrode and lithium secondary battery comprising same 株式会社LG新能源 2022-09-20 CN claimed
CN-111033864-B Electrolyte for lithium metal battery and lithium metal battery comprising same 株式会社LG新能源 2022-08-12 CN claimed
US-20200203759-A1 ELECTROLYTE FOR LITHIUM METAL BATTERY AND LITHIUM METAL BATTERY COMPRISING SAME LG CHEM, LTD. (KR) 2020-06-25 US claimed
EP-3664213-A2 ELECTROLYTE FOR LITHIUM METAL BATTERY AND LITHIUM METAL BATTERY COMPRISING SAME LG Chem, Ltd. (KR) 2020-06-10 EP claimed
US-20190319272-A1 LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG CHEM, LTD. (KR) 2019-10-17 US claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 WO claimed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 US claimed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO 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-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP RXRA 3597/4885RXRB 2951/4885RXRG 2960/4885

“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.