SCHEMBL527776

SCHEMBL527776

Fc1cccc(C2(C3CCCCC3)CCCCC2)c1F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.45
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
PDE7A Q13946 1/20 0.38

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
SCHEMBL9004261 0.86 HDAC4 (0.42) HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL2589110 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL18611832 0.75 HDAC4 (0.41) HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL1666028 0.73 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL28465330 0.72 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL944385 0.71 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL4379605 0.70 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL10601663 0.70 HDAC4 (0.38) HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL28866366 0.70 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL9797247 0.69 HDAC4 (0.48) HDAC4SLC6A2SLC6A4SLC6A3

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-20140362335-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS LC VISION, LLC (US) 2014-12-11 US disclosed
US-8834742-B2 Polymer-doped vertically-aligned nematic liquid crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-16 US disclosed
US-8778223-B2 Liquid crystals having cyclohexyl core structures and fluorinated tails LC VISION, LLC (US) 2014-07-15 US disclosed
US-20120326083-A1 LIQUID CRYSTALS HAVING CYCLOHEXYL CORE STRUCTURES AND FLUORINATED TAILS LC VISION, LLC 2012-12-27 US disclosed
US-20120105791-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS NATIONAL SCIENCE FOUNDATION 2012-05-03 US disclosed
WO-2012016130-A2 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-02-02 WO disclosed
EP-0571916-B1 A liquid crystal composition and a liquid crystal display containing it CHISSO CORP (JP) 1996-10-02 EP disclosed
EP-0656412-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE MADE THEREFROM CHISSO CORPORATION (JP) 1995-06-07 EP disclosed
US-5358662-A Mixture; cyano-free CHISSO CORPORATION (JP) 1994-10-25 US disclosed
EP-0571916-A1 A liquid crystal composition and a liquid crystal display containing it Chisso Corporation (JP) 1993-12-01 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-20120326083-A1 LIQUID CRYSTALS HAVING CYCLOHEXYL CORE STRUCTURES AND FLUORINATED TAILS Q6ZSR9, CRACR2A, RCC1 HDAC4 3520/4885SLC6A2 3036/4885SLC6A4 2183/4885

“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.