SCHEMBL10043342

SCHEMBL10043342

Fc1ccc(C2CCC(C3CCC(c4c(F)cc(C5CCCCC5)cc4F)CC3)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.38
▸ HTR1D P28221 2/20 0.36
▸ ACMSD Q8TDX5 2/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ USP5 P45974 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ APP P05067 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
SCHEMBL14525325 0.89 HTR2A (0.38) ACMSDBACE1EPHX2USP5HDAC6
SCHEMBL23366152 0.89 HTR2A (0.38) ACMSDBACE1EPHX2USP5HDAC6
SCHEMBL8767567 0.87 HTR2A (0.39) ACMSDBACE1USP5HDAC6HTR2A
SCHEMBL10072014 0.86 ESR2 (0.42) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL12975733 0.86 ESR2 (0.41) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL10043343 0.86 ESR2 (0.41) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL17827776 0.85 HTR2A (0.42) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL127034 0.85 ACMSD (0.44) HTR1DACMSDBACE1EPHX2HTR2A
SCHEMBL12975816 0.82 HCRTR2 (0.37) BACE1USP5HDAC6HTR2AHTR2C
SCHEMBL12975873 0.82 USP5 (0.32) USP5HDAC6HTR2AHTR2CHTR2B

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 ABCB1 3314/4885HTR1D 44/4885ACMSD 2305/4885

“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.

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