SCHEMBL2857006

SCHEMBL2857006

C=CCC1CC2CCC(c3cc(F)c(C#N)c(F)c3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
GRM2 Q14416 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
SCHEMBL7728725 0.91 TRPV4 (0.33) TRPV4GRM2
SCHEMBL7728734 0.91 TRPV4 (0.33) TRPV4GRM2
SCHEMBL7728730 0.91 TRPV4 (0.33) TRPV4GRM2
SCHEMBL2847034 0.90 TRPV4 (0.33) TRPV4GRM2
SCHEMBL7737283 0.89 TRPV4 (0.36) TRPV4GRM2
SCHEMBL7737281 0.89 TRPV4 (0.36) TRPV4GRM2
SCHEMBL2853742 0.85
SCHEMBL2858388 0.83 ALOX5 (0.31)
SCHEMBL8973188 0.83 GRM2 (0.32) TRPV4GRM2
SCHEMBL8973194 0.83 GRM2 (0.32) TRPV4GRM2

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-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON-CHEMIE AG (LI) 2010-10-21 US disclosed
EP-1896552-B1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON CHEMIE AG (LI) 2010-05-19 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-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES FLI1, F12, GTF2I TRPV4 3034/4885GRM2 4246/4885

“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.