SCHEMBL10301914

SCHEMBL10301914

CCCc1ccc(CCc2ccc(-c3ccc(C)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CHKA P35790 1/20 0.38
VDR P11473 1/20 0.37
RARB P10826 2/20 0.34
ALOX5 P09917 1/20 0.33
MPL P40238 5/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HSD11B1 P28845 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL12716996 0.97 CHKA (0.38) CTSLCTSSCTSKCHKAVDR
SCHEMBL12740081 0.97 CHKA (0.38) CTSLCTSSCTSKCHKAVDR
SCHEMBL11938840 0.94 CTSL (0.42) CTSLCTSSCTSKCHKAVDR
SCHEMBL13394256 0.92 CTSL (0.43) CTSLCTSSCTSKCHKAVDR
SCHEMBL10301911 0.91 CHKA (0.38) CTSLCTSSCTSKCHKARARB
SCHEMBL17616206 0.89 RARB (0.38) CHKARARBALOX5MPLPTGS1
SCHEMBL9486644 0.89 CHKA (0.42) CTSLCTSSCTSKCHKARARB
SCHEMBL9487026 0.89 CTSL (0.43) CTSLCTSSCTSKCHKAVDR
SCHEMBL12735519 0.88 CHKA (0.38) CTSLCTSSCTSKCHKAHSD11B1
SCHEMBL12740074 0.88 CHKA (0.38) CTSLCTSSCTSKCHKAHSD11B1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 EP disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 CTSL 2598/4885CTSS 1974/4885CTSK 2240/4885

“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.