SCHEMBL20111613

SCHEMBL20111613

CCCc1ccc(-c2ccc3c(c2F)-c2c-3cc(C3CCCCC3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.34
PTGS2 P35354 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
FEN1 P39748 6/20 0.32
ALOX5AP P20292 5/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
APP P05067 1/20 0.32
GCGR P47871 1/20 0.31
MAPK14 Q16539 1/20 0.31
RARB P10826 1/20 0.31
CTSK P43235 3/20 0.31
CTSS P25774 2/20 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
SCHEMBL20102560 0.85 RARB (0.34) MPLFFAR4CYP3A4CYP2C9RARB
SCHEMBL20111304 0.83 EPHX2 (0.36) NUDT1BACE1FEN1ALOX5APCTSK
SCHEMBL20111606 0.82 CTSK (0.36) CTSKCTSS
SCHEMBL20111718 0.81 NUDT1 (0.32) NUDT1BACE1
SCHEMBL10823304 0.78 NUDT1 (0.40) PTGS2FFAR4NUDT1BACE1MEN1
SCHEMBL21609919 0.77 FFAR4 (0.42) FFAR4CYP3A4CYP2C9APP
SCHEMBL20111723 0.75 FEN1 (0.34) PTGS2FFAR4FEN1ALOX5APCYP3A4
SCHEMBL20111329 0.75 OPRL1 (0.40) FEN1ALOX5APMEN1KMT2ACYP2C9
SCHEMBL2974031 0.75 NUDT1 (0.43) PTGS2NUDT1BACE1CYP3A4CYP2C9
SCHEMBL20117903 0.75 MPL (0.36) MPLFFAR4MEN1KMT2ARARB

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-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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 (2 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S MPL 4474/4885PTGS2 4062/4885FFAR4 309/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S MPL 4474/4885PTGS2 4062/4885FFAR4 309/4885

“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.