SCHEMBL2847079

SCHEMBL2847079

C=CCC1CC2CCC(c3ccc(-c4ccc(C#N)cc4)cc3)CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.41
KCNH2 Q12809 1/20 0.41
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
PAX8 Q06710 2/20 0.34
P2RY14 Q15391 1/20 0.34
USP30 Q70CQ3 1/20 0.33
KDM1A O60341 1/20 0.33
HSD11B1 P28845 1/20 0.33
MMP3 P08254 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL2850220 0.96 GRIA1 (0.38) HRH3KCNH2HRH2HRH1GRIA1
SCHEMBL4637129 0.96 GRIA1 (0.38) HRH3KCNH2HRH2HRH1GRIA1
SCHEMBL11084144 0.91 HRH3 (0.39) HRH3KCNH2HRH2HRH1GRIA1
SCHEMBL11084141 0.91 HRH3 (0.39) HRH3KCNH2HRH2HRH1GRIA1
SCHEMBL2852530 0.90 HRH3 (0.43) HRH3KCNH2HRH2HRH1EGLN2
SCHEMBL9798359 0.89 HRH3 (0.41) HRH3KCNH2HRH2HRH1GRIA1
SCHEMBL9798346 0.89 HRH3 (0.41) HRH3KCNH2HRH2HRH1GRIA1
SCHEMBL10779619 0.86 GRIA1 (0.39) HRH3KCNH2HRH2HRH1GRIA1
SCHEMBL9511984 0.86 GRIA1 (0.39) HRH3KCNH2HRH2HRH1GRIA1
SCHEMBL9349673 0.86 GRIA1 (0.39) HRH3KCNH2HRH2HRH1GRIA1

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 4 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
EP-1896552-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES Tetragon-Chemie AG (LI) 2008-03-12 EP disclosed
WO-2006136345-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON-CHEMIE AG (LI) 2006-12-28 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-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES FLI1, F12, GTF2I HRH3 184/4885KCNH2 296/4885HRH2 89/4885

“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.