SCHEMBL4945917

SCHEMBL4945917

CCCC(=O)Oc1c(C(C)=O)ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
ALOX15 P16050 1/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33

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
SCHEMBL1996675 0.85 BCL9 (0.41) BCL9CTNNB1CES2CES1KMT2A
SCHEMBL1999176 0.80 KMT2A (0.45) CES2CES1KMT2AKDM4EMEN1
SCHEMBL2000685 0.79 ALOX15 (0.41) BCL9CTNNB1CES2CES1KMT2A
SCHEMBL5324362 0.76 MAOB (0.52) BCL9CTNNB1KMT2AKDM4EMAOB
SCHEMBL30100005 0.75 CES2 (0.45) CES2CES1KMT2AKDM4EMEN1
SCHEMBL1994064 0.74 ALOX15 (0.49) BCL9CTNNB1CES2CES1KMT2A
SCHEMBL1401783 0.74 ALDH1A1 (0.48) BCL9CTNNB1CES2CES1KMT2A
SCHEMBL1993937 0.74 KMT2A (0.43) BCL9CTNNB1CES2CES1KMT2A
SCHEMBL28499259 0.73 CES2 (0.48) BCL9CTNNB1CES2CES1KDM4E
SCHEMBL9079554 0.73 ALDH1A1 (0.41) BCL9CTNNB1KMT2AKDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed
EP-1491612-B1 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORP (JP) 2006-10-18 EP disclosed
US-20050247910-A1 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition JNC PETROCHEMICAL CORPORATION (JP) 2005-11-10 US 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-20050247910-A1 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition RB1, RCC1, CDYL BCL9 220/4885CTNNB1 1099/4885CES2 4694/4885

“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.