SCHEMBL2856098

SCHEMBL2856098

C=CCC1CC2CCC(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 2/20 0.34
KDM1A O60341 3/20 0.34
MAOB P27338 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
P2RY14 Q15391 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MMP12 P39900 1/20 0.32
FASN P49327 1/20 0.32
SCN5A Q14524 1/20 0.32
KIF11 P52732 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
CHRM2 P08172 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
SCHEMBL2853806 0.96 L3MBTL1 (0.37) L3MBTL1EPHX2KDM1ARCOR1MEN1
SCHEMBL2854636 0.95 L3MBTL1 (0.36) L3MBTL1EPHX2KDM1ARCOR1MEN1
SCHEMBL2851018 0.90 L3MBTL1 (0.40) L3MBTL1EPHX2KDM1AMAOBRCOR1
SCHEMBL2855964 0.88 KDM1A (0.36) L3MBTL1EPHX2KDM1ARCOR1MEN1
SCHEMBL2852845 0.86 KDM1A (0.39) L3MBTL1EPHX2KDM1ARCOR1MEN1
SCHEMBL2853591 0.82 PTGS2 (0.36) KDM1ACHRM1
SCHEMBL6451971 0.81 L3MBTL1 (0.40) L3MBTL1EPHX2KDM1AMAOBRCOR1
SCHEMBL6451969 0.81 L3MBTL1 (0.40) L3MBTL1EPHX2KDM1AMAOBRCOR1
SCHEMBL9013877 0.81 KDM1A (0.39) L3MBTL1EPHX2KDM1ARCOR1MEN1
SCHEMBL9013875 0.81 KDM1A (0.39) L3MBTL1EPHX2KDM1ARCOR1MEN1

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 2 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

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 L3MBTL1 863/4885EPHX2 975/4885KDM1A 3877/4885

“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.