SCHEMBL9419282

SCHEMBL9419282

CC=Cc1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 13/20 0.46
PTGS2 P35354 1/20 0.45
ERN1 O75460 1/20 0.38
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
CHEK1 O14757 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
RELA Q04206 1/20 0.35
MAT2A P31153 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL17371178 1.00 NFE2L2 (0.46) NFE2L2PTGS2ERN1CES2BCHE
SCHEMBL9419281 1.00 NFE2L2 (0.46) NFE2L2PTGS2ERN1CES2BCHE
SCHEMBL1547721 0.81 NFE2L2 (0.44) NFE2L2PTGS2ERN1CES2BCHE
SCHEMBL14162953 0.81 NFE2L2 (0.71) NFE2L2RELA
SCHEMBL3434176 0.81 NFE2L2 (0.71) NFE2L2RELA
SCHEMBL6804693 0.81 NFE2L2 (0.71) NFE2L2RELA
SCHEMBL14428487 0.80 ALDH1A1 (0.37) NFE2L2PTGS2
SCHEMBL16959694 0.80 ALDH1A1 (0.37) NFE2L2PTGS2
SCHEMBL11233099 0.79 CES2 (0.33) NFE2L2CES2CES1
SCHEMBL8821192 0.79 NFE2L2 (0.76) NFE2L2PTGS2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-07-17 US disclosed
US-20160177180-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-06-23 US disclosed
EP-3018185-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2016-05-11 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
EP-2960226-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2015-12-30 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 EP disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 US disclosed
EP-0363458-A1 2,3-DIFLUOROBENZENES. MERCK PATENT GMBH (DE) 1990-04-18 EP disclosed
WO-1989008629-A1 PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 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 (2 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-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device PIEZO1, ROCK1, RCC1 NFE2L2 4397/4885PTGS2 3940/4885ERN1 928/4885
US-20150376504-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, ROCK1, RCC1 NFE2L2 4397/4885PTGS2 3940/4885ERN1 928/4885

“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.