SCHEMBL8424786

SCHEMBL8424786

C=CCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.39
TAAR1 Q96RJ0 2/20 0.38
CYP17A1 P05093 3/20 0.37
CYP11B1 P15538 3/20 0.37
CYP21A2 P08686 1/20 0.37
CYP11B2 P19099 2/20 0.34
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
KIF11 P52732 1/20 0.33
ANPEP P15144 5/20 0.32
CYP3A4 P08684 1/20 0.32
CYP19A1 P11511 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL8578398 1.00 MAOB (0.39) MAOBTAAR1CYP17A1CYP11B1CYP21A2
SCHEMBL16488491 0.94 MAOB (0.35) MAOBTAAR1CYP17A1CYP11B1CYP21A2
SCHEMBL8403874 0.91 FFAR1 (0.35) MAOBTAAR1CYP17A1CYP11B1CYP21A2
SCHEMBL13412036 0.89 TAAR1 (0.36) MAOBTAAR1CYP17A1CYP11B1CYP11B2
SCHEMBL13239275 0.89 TAAR1 (0.36) MAOBTAAR1CYP17A1CYP11B1CYP11B2
SCHEMBL3262256 0.88 ESR1 (0.37) TAAR1CYP17A1CYP11B1CYP21A2CYP11B2
SCHEMBL13002294 0.86 KIF11 (0.41) MAOBTAAR1CYP17A1CYP11B1CYP21A2
SCHEMBL3153357 0.85 ESR1 (0.38) TAAR1CYP17A1CYP11B1CYP11B2
SCHEMBL13671383 0.84 KIF11 (0.31) MAOBKIF11
SCHEMBL18540027 0.83 TAAR1 (0.39) MAOBTAAR1CYP17A1CYP11B1CYP21A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11061132-A None JP disclosed
EP-1970362-B1 MONOFLUORINATED TERPHENYL COMPOUND HAVING ALKENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2011-10-12 EP disclosed
US-7749403-B2 Monofluorinated terphenyl compound having alkenyl, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-07-06 US disclosed
US-7749403-B2 Monofluorinated terphenyl compound having alkenyl, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-07-06 US disclosed
US-20090206300-A1 MONOFLUORINATED TERPHENYL COMPOUND HAVING ALKENYL, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2009-08-20 US disclosed
US-20090206300-A1 MONOFLUORINATED TERPHENYL COMPOUND HAVING ALKENYL, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2009-08-20 US disclosed
EP-1970362-A1 MONOFLUORINATED TERPHENYL COMPOUND HAVING ALKENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2008-09-17 EP disclosed
EP-1116770-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-04-02 EP disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
JP-H1161132-A ALKENYLTERPHENYL DERIVATIVE DAINIPPON INK & CHEM INC 1999-03-05 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 (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-20090206300-A1 MONOFLUORINATED TERPHENYL COMPOUND HAVING ALKENYL, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, FZD7, HTR1D MAOB 3506/4885TAAR1 302/4885CYP17A1 1244/4885

“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.