SCHEMBL2392780

SCHEMBL2392780

CCCC1CCC(c2ccc(B(O)O)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 3/20 0.39
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
DRD2 P14416 3/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A4 P31645 1/20 0.33
PANK3 Q9H999 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33

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
SCHEMBL6558027 1.00 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL30400657 1.00 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8222402 0.99 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8222400 0.99 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8222398 0.99 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1754931 0.96 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL28382459 0.92 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL28366793 0.91 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL30309465 0.91 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2396830 0.91 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8176033-A None JP disclosed
CN-116286020-A Compound, liquid crystal composition, and liquid crystal display element, sensor, liquid crystal lens, optical communication device, and antenna using the same DIC株式会社 2023-06-23 CN disclosed
US-20190284475-A1 LIQUID CRYSTAL COMPOUND AND A LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME DAXIN MATERIALS CORP. (TW) 2019-09-19 US disclosed
US-9458381-B2 Liquid crystal compounds containing deuterium SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-10-04 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
US-9181484-B2 Compound having 2-fluorophenyloxymethane structure DIC CORPORATION (JP) 2015-11-10 US disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 US disclosed
US-20150087847-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2015-03-26 US disclosed
EP-2368966-A1 Liquid crystalline compounds and liquid crystalline media Merck Patent GmbH (DE) 2011-09-28 EP disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
US-7767277-B2 Fluorophenyl compounds for liquid-crystalline mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-03 US disclosed
US-7767277-B2 Fluorophenyl compounds for liquid-crystalline mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-03 US disclosed
US-20080132716-A1 difluoromethyleneoxy group bridge on fluorinated biphenyl and fluorinated phenyl group; electro-optical displays; high dielectric anisotropy, high clearing point and low rotational viscosity; photochemically stable, heat resistance; chemical intermediates MERCK PATENT GMBH 2008-06-05 US disclosed
US-20080132716-A1 difluoromethyleneoxy group bridge on fluorinated biphenyl and fluorinated phenyl group; electro-optical displays; high dielectric anisotropy, high clearing point and low rotational viscosity; photochemically stable, heat resistance; chemical intermediates MERCK PATENT GMBH 2008-06-05 US disclosed
US-6159393-A Benzene derivatives and liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-12-12 US disclosed
US-5705095-A LOW VISCOSITY, HIGH DIELECTRIC ANISOTROPY, LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-01-06 US disclosed
JP-H08176033-A BENZENE DERIVATIVE MERCK PATENT GMBH 1996-07-09 JP 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 (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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 CYP2C9 2391/4885ALDH1A1 3844/4885LMNA 1034/4885
US-20080132716-A1 difluoromethyleneoxy group bridge on fluorinated biphenyl and fluorinated phenyl group; electro-optical displays; high dielectric anisotropy, high clearing point and low rotational viscosity; photochemically stable, heat resistance; chemical intermediates FLNB, FLNA, BRAF CYP2C9 850/4885ALDH1A1 611/4885LMNA 1121/4885
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME TNK1, CTNND1, FLI1 CYP2C9 811/4885ALDH1A1 3219/4885LMNA 1000/4885

“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.