SCHEMBL2855964

SCHEMBL2855964

C=CCC1CCC2CC(C3CCC(c4ccc(OC(F)(F)F)cc4)CC3)CC2CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ESR2 Q92731 2/20 0.31
GRM2 Q14416 1/20 0.31
TEAD1 P28347 1/20 0.31
SLC6A4 P31645 1/20 0.31
FAAH O00519 1/20 0.31
CNR1 P21554 1/20 0.30
F2R P25116 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
GRIN2B Q13224 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL2854636 0.93 L3MBTL1 (0.36) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL2853806 0.91 L3MBTL1 (0.37) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL2852845 0.91 KDM1A (0.39) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL2856098 0.88 L3MBTL1 (0.40) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL2851018 0.88 L3MBTL1 (0.40) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL9013875 0.86 KDM1A (0.39) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL9013877 0.86 KDM1A (0.39) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL13433664 0.84 L3MBTL1 (0.37) KDM1ARCOR1L3MBTL1EPHX2MEN1
SCHEMBL10935701 0.80 ESR2 (0.43) KDM1AMEN1KMT2AALDH1A1POLB
SCHEMBL10904861 0.80 ESR2 (0.43) KDM1AMEN1KMT2AALDH1A1POLB

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 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.