SCHEMBL4827415

SCHEMBL4827415

CCCCCCCCOc1ccc(B(O)O)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NR5A1 Q13285 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CHUK O15111 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL29950981 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL8746439 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL29416793 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL8218479 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL7788798 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL8746471 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL2510510 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL29546276 1.00 S1PR3 (0.42) S1PR3THRATHRBNR5A1MEN1
SCHEMBL8746461 0.98 L3MBTL1 (0.40) S1PR3THRATHRBNR5A1MEN1
SCHEMBL29545875 0.98 L3MBTL1 (0.40) S1PR3THRATHRBNR5A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114230552-B Trifluoromethoxy dibenzothiophene, preparation method thereof and preparation method of related intermediate 江苏广域化学有限公司 2023-11-03 CN disclosed
CN-114230552-A Trifluoromethoxy dibenzothiophene, preparation method thereof and preparation method of related intermediate 江苏广域化学有限公司 2022-03-25 CN disclosed
US-7462427-B2 Liquid crystal compounds with branched or cyclic end groups QINETIQ LIMITED (GB) 2008-12-09 US disclosed
US-7351452-B2 Liquid crystalline compounds containing a biphenyl core QINETIQ LIMITED (GB) 2008-04-01 US disclosed
US-20050001200-A1 Liquid crystalline compounds containing a biphenyl core QINETIQ LIMITED (GB) 2005-01-06 US disclosed
US-20040206933-A1 Liquid crystal compounds with branched or cyclic end groups QINETIQ LIMITED (GB) 2004-10-21 US disclosed
EP-1160233-B1 Novel terphenyl compounds SHARP KK (JP) 2004-07-21 EP disclosed
WO-2003040812-A1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL MIXTURES CONTAINING THEM AND LIQUID CRYSTAL DEVICES QINETIQ LIMITED (GB) 2003-05-15 WO disclosed
WO-2003040074-A1 LIQUID CRYSTALLINE COMPOUNDS CONTAINING A BIPHENYL CORE QINETIQ LIMITED (GB) 2003-05-15 WO disclosed
WO-2003024903-A1 LIQUID CRYSTAL COMPOUNDS WITH BRANCHED OR CYCLIC END GROUPS QINETIQ LIMITED (GB) 2003-03-27 WO disclosed
WO-1996000710-A1 NOVEL CHIRAL CYCLOHEXYL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-01-11 WO disclosed
EP-0662114-A1 DIOXANE DERIVATIVES. CENTRAL RESEARCH LAB LTD (GB) 1995-07-12 EP disclosed
US-5417885-A Antiferroelectric liquid crystal compound SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1995-05-23 US disclosed
EP-0637624-A1 Antiferroelectric liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1995-02-08 EP disclosed
WO-1994029405-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1994-12-22 WO disclosed
WO-1994006885-A1 DIOXANE DERIVATIVES CENTRAL RESEARCH LABORATORIES LIMITED (GB) 1994-03-31 WO disclosed
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed
WO-1989002425-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-03-23 WO 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 (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-20050001200-A1 Liquid crystalline compounds containing a biphenyl core YBX1, AFF1, AFF2 S1PR3 3057/4885THRA 3032/4885THRB 2398/4885

“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.