SCHEMBL12717005

SCHEMBL12717005

C=Cc1ccc(-c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 5/20 0.37
▸ GABRB2 P47870 5/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.35
▸ CHKA P35790 1/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ RET P07949 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ TUBB1 Q9H4B7 1/20 0.30
▸ CALM1 P0DP23 1/20 0.30
▸ LMNA P02545 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
SCHEMBL12740096 1.00 GABRA1 (0.37) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL12735646 0.91 NAAA (0.38) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL12738823 0.90 DGAT1 (0.35) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL1243473 0.90 FFAR4 (0.40) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL10301995 0.90 GABRA1 (0.37) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL10301922 0.89 GABRA1 (0.36) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL12717001 0.89 ALOX5 (0.36) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL22277696 0.89 GABRA1 (0.39) GABRA1GABRB2SIRT2FFAR4FGFR1
SCHEMBL12735559 0.88 CTSL (0.36) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL12740097 0.88 CTSL (0.36) GABRA1GABRB2CTSLCTSSCTSK

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
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
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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP 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 GABRA1 3981/4885GABRB2 4384/4885CTSL 3010/4885

“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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