SCHEMBL2852530

SCHEMBL2852530

C=CCC1CCC2CC(c3ccc(-c4ccc(C#N)cc4)cc3)CC2CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.43
KCNH2 Q12809 1/20 0.43
PAX8 Q06710 2/20 0.34
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
USP30 Q70CQ3 1/20 0.33
KDM1A O60341 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL2857519 0.96 HRH3 (0.38) HRH3KCNH2USP30KDM1ADRD2
SCHEMBL11084141 0.91 HRH3 (0.39) HRH3KCNH2PAX8HRH2HRH1
SCHEMBL11084144 0.91 HRH3 (0.39) HRH3KCNH2PAX8HRH2HRH1
SCHEMBL2847079 0.90 HRH3 (0.41) HRH3KCNH2PAX8HRH2HRH1
SCHEMBL9798346 0.89 HRH3 (0.41) HRH3KCNH2PAX8HRH2HRH1
SCHEMBL9798359 0.89 HRH3 (0.41) HRH3KCNH2PAX8HRH2HRH1
SCHEMBL9511984 0.86 GRIA1 (0.39) HRH3KCNH2HRH2HRH1USP30
SCHEMBL9349666 0.86 GRIA1 (0.39) HRH3KCNH2HRH2HRH1USP30
SCHEMBL9349673 0.86 GRIA1 (0.39) HRH3KCNH2HRH2HRH1USP30
SCHEMBL10779619 0.86 GRIA1 (0.39) HRH3KCNH2HRH2HRH1USP30

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-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON-CHEMIE AG (LI) 2010-10-21 US disclosed
WO-2010072712-A1 BIARYL BENZYLAMINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 WO 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 296/4885PAX8 358/4885

“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.