SCHEMBL12735559

SCHEMBL12735559

C/C=C/c1ccc(-c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ CHKA P35790 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33
▸ GABRA1 P14867 4/20 0.32
▸ GABRB2 P47870 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RET P07949 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL12740097 1.00 CTSL (0.36) CTSLCTSSCTSKFFAR4SIRT2
SCHEMBL12735649 0.91 NAAA (0.38) CTSLCTSSCTSKFFAR4SIRT2
SCHEMBL12738826 0.90 S1PR1 (0.35) CTSLCTSSCTSKFFAR4CHKA
SCHEMBL1243473 0.90 FFAR4 (0.40) CTSLCTSSCTSKFFAR4CHKA
SCHEMBL10302005 0.90 TUBB1 (0.40) FFAR4SIRT2TUBB1GABRA1GABRB2
SCHEMBL10301923 0.89 CTSL (0.35) CTSLCTSSCTSKFFAR4CHKA
SCHEMBL23870623 0.89 TUBB1 (0.39) FFAR4TUBB1ALDH1A1FGFR1FGFR2
SCHEMBL12740096 0.88 GABRA1 (0.37) CTSLCTSSCTSKFFAR4SIRT2
SCHEMBL12717005 0.88 GABRA1 (0.37) CTSLCTSSCTSKFFAR4SIRT2
SCHEMBL12736498 0.86 TACR2 (0.41) FFAR4TUBB1ALDH1A1FGFR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-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

“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.

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