SCHEMBL10301920

SCHEMBL10301920

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
GABRA1 P14867 6/20 0.40
GABRB2 P47870 6/20 0.40
FFAR4 Q5NUL3 3/20 0.38
CHKA P35790 1/20 0.36
ALOX5 P09917 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR1 P11362 1/20 0.34
CALM1 P0DP23 1/20 0.33
RET P07949 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL12740092 0.97 CTSL (0.41) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12735553 0.97 CTSL (0.41) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL1243473 0.96 FFAR4 (0.40) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10303391 0.93 CTSS (0.49) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12740090 0.92 FFAR4 (0.39) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12717240 0.92 FFAR4 (0.39) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10301919 0.92 FFAR4 (0.40) CTSLCTSSCTSKFFAR4CHKA
SCHEMBL12735556 0.91 RARB (0.42) CTSLCTSSCTSKFFAR4
SCHEMBL10301921 0.91 RARB (0.39) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL21869910 0.91 CNR2 (0.39) CTSLCTSSCTSKFFAR4CHKA

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.