SCHEMBL10043343

SCHEMBL10043343

CC1CCC(c2cc(F)c(C3CCC(C4CCC(c5ccc(F)c(F)c5)CC4)CC3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
USP5 P45974 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCRTR2 O43614 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
USP30 Q70CQ3 1/20 0.32
FASN P49327 1/20 0.32
ADRA1A P35348 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GRIA4 P48058 1/20 0.32
KDM1A O60341 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
MAOB P27338 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
SCHEMBL12975733 1.00 ESR2 (0.41) ESR2USP5HDAC6HCRTR2HTR2A
SCHEMBL9979956 0.92 ESR2 (0.47) ESR2USP5HDAC6HCRTR2HTR2A
SCHEMBL18503359 0.92 ESR2 (0.47) ESR2USP5HDAC6HCRTR2HTR2A
SCHEMBL9979948 0.87 ESR2 (0.52) ESR2USP5HDAC6HCRTR2HTR2A
SCHEMBL20171769 0.86 ESR2 (0.42) ESR2USP5HDAC6HCRTR2HTR2A
SCHEMBL10043342 0.86 ABCB1 (0.38) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL12975732 0.86 ESR2 (0.37) ESR2
SCHEMBL12975812 0.86 ESR2 (0.37) ESR2
SCHEMBL10043148 0.85 ESR2 (0.41) ESR2USP5HDAC6HCRTR2HTR2A
SCHEMBL10043337 0.85 ESR2 (0.41) ESR2USP5HDAC6HCRTR2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 US disclosed
WO-2010146992-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-12-23 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 ESR2 2435/4885USP5 2406/4885HDAC6 3966/4885

“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.