SCHEMBL10301931

SCHEMBL10301931

C=CCOc1ccc(-c2ccc(CCc3ccc(C)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
CTSL P07711 1/20 0.37
LMNA P02545 1/20 0.33
HTR2C P28335 4/20 0.32
ALDH1A1 P00352 4/20 0.32
HTR2B P41595 2/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHKA P35790 1/20 0.32
GABRA1 P14867 3/20 0.31
GABRB2 P47870 3/20 0.31
HTR2A P28223 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX5 P09917 1/20 0.30
CNR2 P34972 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
SCHEMBL12740116 0.92 CTSS (0.37) CTSSCTSKCTSLLMNAHTR2C
SCHEMBL12735596 0.92 CTSS (0.37) CTSSCTSKCTSLLMNAHTR2C
SCHEMBL10301933 0.89 CNR2 (0.35) CTSSCTSKCTSLCHKAGABRA1
SCHEMBL10301932 0.89 CNR2 (0.33) CTSSCTSKCTSLCHKAGABRA1
SCHEMBL12738858 0.88 CTSS (0.35) CTSSCTSKCTSLLMNAHTR2C
SCHEMBL14766411 0.88 CTSL (0.38) CTSSCTSKCTSLLMNAHTR2C
SCHEMBL14767237 0.88 CTSL (0.38) CTSSCTSKCTSLLMNAHTR2C
SCHEMBL10301566 0.87 FFAR4 (0.36) CTSSCTSKCTSLCHKAGABRA1
SCHEMBL10302201 0.86 FFAR4 (0.36) LMNAHTR2CALDH1A1HTR2BCYP2D6
SCHEMBL10302040 0.85 LMNA (0.36) LMNAHTR2CALDH1A1HTR2BCYP2D6

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-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

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 CTSS 1974/4885CTSK 2240/4885CTSL 2598/4885

“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.