SCHEMBL10091128

SCHEMBL10091128

CCCOc1ccc(-c2ccc(-c3ccc(CCc4ccc(CCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
GABRA1 P14867 5/20 0.35
GABRB2 P47870 5/20 0.35
CHKA P35790 1/20 0.34
ALOX5 P09917 1/20 0.34
CSNK2A1 P68400 2/20 0.33
PPARA Q07869 3/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 2/20 0.33
C3AR1 Q16581 1/20 0.33
RET P07949 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CNR2 P34972 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
SCHEMBL12735553 0.92 CTSL (0.41) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12740092 0.92 CTSL (0.41) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL9563808 0.92 CSNK2A1 (0.38) GABRA1GABRB2ALOX5CSNK2A1C3AR1
SCHEMBL9563721 0.91 CSNK2A1 (0.37) GABRA1GABRB2ALOX5CSNK2A1C3AR1
SCHEMBL9494738 0.91 CSNK2A1 (0.37) GABRA1GABRB2ALOX5CSNK2A1C3AR1
SCHEMBL14766054 0.90 LMNA (0.39) CTSLCTSSCTSKC3AR1CNR2
SCHEMBL14766907 0.90 LMNA (0.39) CTSLCTSSCTSKC3AR1CNR2
SCHEMBL10301920 0.90 CTSL (0.44) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL21869910 0.89 CNR2 (0.39) CTSLCTSSCTSKCHKARET
SCHEMBL1243473 0.88 FFAR4 (0.40) CTSLCTSSCTSKGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305627-B1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2014-09-17 EP disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 CTSL 3010/4885CTSS 1879/4885CTSK 2052/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 CTSL 2692/4885CTSS 2219/4885CTSK 2362/4885

“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.