SCHEMBL2857780

SCHEMBL2857780

C=CCC1CCC2CC(c3ccc(OC(F)(F)F)c(F)c3)CC2CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.35
KDM1A O60341 4/20 0.33
CTSK P43235 1/20 0.32
NAAA Q02083 1/20 0.32
PDE2A O00408 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
P2RX7 Q99572 2/20 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
SCHEMBL2853663 0.91 EPHX2 (0.35) EPHX2KDM1ACTSKNAAAPDE2A
SCHEMBL9013569 0.86 EPHX2 (0.35) EPHX2CTSKNAAAPDE2AHCRTR1
SCHEMBL9013573 0.86 EPHX2 (0.35) EPHX2CTSKNAAAPDE2AHCRTR1
SCHEMBL6461049 0.84 EPHX2 (0.32) EPHX2KDM1ACTSKNAAAP2RX7
SCHEMBL6461046 0.84 EPHX2 (0.32) EPHX2KDM1ACTSKNAAAP2RX7
SCHEMBL2845403 0.82 HTR2A (0.37) KDM1A
SCHEMBL6455016 0.82 KDM1A (0.34) EPHX2KDM1ACTSKNAAAPDE2A
SCHEMBL6455021 0.82 KDM1A (0.34) EPHX2KDM1ACTSKNAAAPDE2A
SCHEMBL2852845 0.82 KDM1A (0.39) EPHX2KDM1A
SCHEMBL5683741 0.80 EPHX2 (0.30) EPHX2

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 EPHX2 975/4885KDM1A 3877/4885CTSK 4063/4885

“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.