SCHEMBL10301879

SCHEMBL10301879

C=CCCOc1ccc(C2CCC(/C=C/c3ccc(C)cc3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL10301880 0.96 HTR1A (0.34) HTR1ASLC6A2SLC6A4
SCHEMBL10301873 0.88 SCN9A (0.35) HTR1ASLC6A2SLC6A4
SCHEMBL10301867 0.88 SLC6A2 (0.35) HTR1ASLC6A2SLC6A4
SCHEMBL10301872 0.87 THRB (0.36) HTR1ASLC6A2SLC6A4
SCHEMBL10303009 0.87 ACACB (0.31)
SCHEMBL10301601 0.87 SLC6A2 (0.39) HTR1ASLC6A2SLC6A4
SCHEMBL10301876 0.86 THRB (0.35) HTR1ASLC6A2SLC6A4
SCHEMBL10301874 0.86 THRB (0.35) HTR1ASLC6A2SLC6A4
SCHEMBL10301793 0.86
SCHEMBL12739186 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 HTR1A 591/4885SLC6A2 3969/4885SLC6A4 3574/4885

“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.