SCHEMBL2829069

SCHEMBL2829069

CCCC1CC2CCC(c3ccccc3)CCC2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6456094 0.90 CYP2C9 (0.43) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6456090 0.90 CYP2C9 (0.43) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL11031253 0.90 CYP2C9 (0.43) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10910889 0.88 CYP2C9 (0.54) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8527560 0.88 CYP2C9 (0.54) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8527556 0.88 CYP2C9 (0.54) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8527562 0.88 CYP2C9 (0.54) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL548536 0.85 CYP2C9 (0.58) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL548537 0.85 CYP2C9 (0.58) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1790467 0.85 CYP2C9 (0.58) DRD2CYP2C9ALDH1A1LMNAMAPT

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 DRD2 1310/4885CYP2C9 3104/4885ALDH1A1 265/4885

“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.