SCHEMBL5405156

SCHEMBL5405156

CCCc1ccc(B(O)O)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.39
LPL P06858 5/20 0.39
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PRKCI P41743 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 2/20 0.32
HMGCR P04035 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MGLL Q99685 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 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
SCHEMBL29951783 1.00 LIPG (0.39) LIPGLPLCTSLCTSSCTSK
SCHEMBL3140999 0.89 LIPG (0.49) LIPGLPLCA1CA2TYR
SCHEMBL29951685 0.87 LIPG (0.56) LIPGLPLCA1CA2TYR
SCHEMBL5892520 0.87 LIPG (0.56) LIPGLPLCA1CA2TYR
SCHEMBL7876139 0.85 LIPG (0.59) LIPGLPLCA1CA2TYR
SCHEMBL6659408 0.85 CTSL (0.37) LIPGLPLCTSLCTSSCTSK
SCHEMBL6291363 0.85 LIPG (0.59) LIPGLPLCA1CA2TYR
SCHEMBL7876152 0.85 LIPG (0.59) LIPGLPLCA1CA2TYR
SCHEMBL8746456 0.85 LIPG (0.59) LIPGLPLCA1CA2TYR
SCHEMBL29957652 0.85 LIPG (0.59) LIPGLPLCA1CA2TYR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790641-B Method for producing compound having oxydifluoromethylene skeleton 大金工业株式会社 2023-02-28 CN disclosed
CN-106132915-B Method for producing compound having oxydifluoromethylene skeleton 大金工业株式会社 2020-03-31 CN disclosed
CN-110790641-A Method for producing compound having oxydifluoromethylene skeleton 大金工业株式会社 2020-02-14 CN disclosed
US-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-07-17 US disclosed
EP-3121160-A1 METHOD FOR PRODUCING COMPOUND HAVING OXYDIFLUOROMETHYLENE SKELETON Daikin Industries, Ltd. (JP) 2017-01-25 EP disclosed
US-20150376504-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-31 US disclosed
US-20150376504-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-31 US disclosed
US-7255900-B2 Fluorinated heterocycles and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2007-08-14 US disclosed
US-20050258399-A1 Fluorinated heterocycles and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-24 US disclosed
US-6955838-B2 Fluorinated polycycles and their use in liquid-crystal mixtures CLARIANT INTERNATIONAL LTD. (CH) 2005-10-18 US disclosed
US-20050098762-A1 4,6,7-Trifluoro-benzo[b]naphtho[2,3-d]furan derivatives MERCK PATENT GMBH (DE) 2005-05-12 US disclosed
US-6420584-B1 DEPROTONATION USING ALKYL- OR ARYLMETAL COMPOUNDS OR METAL HYDRIDES IN THE PRESENCE OF A CATALYTIC AMOUNT OF A SECONDARY METAL AMIDE. MERCK PATENT GMBH (DE) 2002-07-16 US disclosed
US-6207835-B1 DEPROTONATION IN CONTINUOUS FLOW REACTOR MERCK KGAA (DE) 2001-03-27 US disclosed
US-5262556-A Alkylation or hydroxyalkylation by deprotonation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-11-16 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-20050098762-A1 4,6,7-Trifluoro-benzo[b]naphtho[2,3-d]furan derivatives CCNT1, CBR1, SCO2 LIPG 3754/4885LPL 4216/4885CTSL 4323/4885
US-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device PIEZO1, ROCK1, RCC1 LIPG 1678/4885LPL 1032/4885CTSL 2885/4885
US-20150376504-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, ROCK1, RCC1 LIPG 1678/4885LPL 1032/4885CTSL 2885/4885
US-20050258399-A1 Fluorinated heterocycles and their use in liquid-crystal mixtures CHRM1, AFF1, H1-0 LIPG 4581/4885LPL 3773/4885CTSL 2649/4885

“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.