SCHEMBL10302191

SCHEMBL10302191

CCCCCc1ccc(OCc2ccc(-c3ccc(OCC)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
RARB P10826 1/20 0.36
FFAR4 Q5NUL3 4/20 0.35
SMPD1 P17405 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
TYR P14679 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10302186 0.95 CTSL (0.41) MAPTRAB9AL3MBTL1CTSLCTSS
SCHEMBL12736478 0.94 RARB (0.38) MAPTRAB9AL3MBTL1CTSLCTSS
SCHEMBL12740932 0.94 RARB (0.38) MAPTRAB9AL3MBTL1CTSLCTSS
SCHEMBL10302188 0.93 SMPD1 (0.40) CTSLCTSSCTSKRARBFFAR4
SCHEMBL10301921 0.91 RARB (0.39) MAPTRAB9AL3MBTL1CTSLCTSS
SCHEMBL10302185 0.91 CTSL (0.42) CTSLCTSSCTSKRARBFFAR4
SCHEMBL12736486 0.91 RARB (0.43) MAPTRAB9AL3MBTL1RARBFFAR4
SCHEMBL10302190 0.91 CTSL (0.43) MAPTRAB9ACTSLCTSSCTSK
SCHEMBL12740941 0.91 RARB (0.43) MAPTRAB9AL3MBTL1RARBFFAR4
SCHEMBL10302840 0.91 CTSL (0.40) MAPTRAB9AL3MBTL1CTSLCTSS

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 MAPT 836/4885RAB9A 710/4885L3MBTL1 25/4885

“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.