SCHEMBL2852845

SCHEMBL2852845

C=CCC1CCC2CC(c3ccc(OC(F)(F)F)cc3)CC2CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
RCOR1 Q9UKL0 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
EPHX2 P34913 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TEAD1 P28347 1/20 0.33
SLC6A4 P31645 3/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
TRPA1 O75762 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A3 Q01959 1/20 0.31
GRM2 Q14416 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
SCHEMBL2851018 0.96 L3MBTL1 (0.40) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL2855964 0.91 KDM1A (0.36) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL2853806 0.90 L3MBTL1 (0.37) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL2854636 0.88 L3MBTL1 (0.36) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL2856098 0.86 L3MBTL1 (0.40) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL9013877 0.84 KDM1A (0.39) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL9013875 0.84 KDM1A (0.39) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL6453371 0.83 EPHX2 (0.36) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL6453367 0.83 EPHX2 (0.36) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL2857780 0.82 EPHX2 (0.35) KDM1AEPHX2

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 KDM1A 3877/4885RCOR1 614/4885L3MBTL1 863/4885

“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.