SCHEMBL2827775

SCHEMBL2827775

CCCC1CCC2CC(c3cc(F)c(F)c(F)c3)CC2CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.37
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
FYN P06241 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
SCHEMBL6454977 0.93 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6459078 0.93 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6454974 0.93 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6460414 0.91 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6454553 0.91 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6454556 0.91 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2884363 0.89 CYP2C9 (0.43) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8737129 0.89 CYP2C9 (0.43) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7569241 0.89 CYP2C9 (0.43) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL3437358 0.89 CYP2C9 (0.43) TLR4CYP2C9ALDH1A1LMNAMAPT

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 TLR4 4722/4885CYP2C9 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.