SCHEMBL2853667

SCHEMBL2853667

C=CCC1CCC2CC(c3ccc(F)cc3)CC2CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 5/20 0.35
CHRM1 P11229 1/20 0.35
GRIN2B Q13224 1/20 0.35
ADRB2 P07550 1/20 0.34
SLC6A3 Q01959 4/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
KDM1A O60341 2/20 0.33
DRD3 P35462 1/20 0.33
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GRM2 Q14416 1/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL2857117 0.96 SLC6A2 (0.33) SLC6A2SLC6A4CHRM1GRIN2BADRB2
SCHEMBL19850828 0.89 ESR2 (0.38) HTR2ADRD3GRM2MAP1LC3BDRD2
SCHEMBL2851314 0.88 SLC6A2 (0.33) SLC6A2SLC6A4CHRM1ADRB2SLC6A3
SCHEMBL11308480 0.87 ESR2 (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL2845403 0.84 HTR2A (0.37) HTR2AHTR2CHTR2BKDM1A
SCHEMBL2853591 0.84 PTGS2 (0.36) SLC6A2SLC6A4CHRM1SLC6A3HTR2A
SCHEMBL2853043 0.83 CYP3A4 (0.34)
SCHEMBL11033780 0.83 ESR2 (0.38) GRM2
SCHEMBL11033776 0.83 ESR2 (0.38) GRM2
SCHEMBL2859026 0.82 CTSC (0.31)

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 SLC6A2 2798/4885SLC6A4 3572/4885CHRM1 100/4885

“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.