SCHEMBL8944848

SCHEMBL8944848

C=CCc1ccc(-c2ccc(-c3ccc(C4CCCOC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAG3 Q9UGI9 2/20 0.35
PRKAG2 Q9UGJ0 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
APP P05067 1/20 0.33
MYC P01106 2/20 0.31
WDR5 P61964 2/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL8954380 0.88 FFAR4 (0.32) APP
SCHEMBL8947921 0.85 PDE3B (0.33)
SCHEMBL8946462 0.84 PDE3B (0.32)
SCHEMBL12999606 0.81 CYP3A4 (0.33) CYP3A4CYP2C9APP
SCHEMBL13262853 0.81 FASN (0.42) CYP3A4CYP2C9APP
SCHEMBL8949842 0.81 CYP11B1 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13000520 0.79 CYP3A4 (0.32) CYP3A4CYP2C9APP
SCHEMBL13000136 0.77
SCHEMBL8944263 0.76 FASN (0.34) CYP3A4CYP2C9APP
SCHEMBL27827250 0.76 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 PRKAB2 4091/4885PRKAG1 4157/4885PRKAA2 4138/4885

“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.