SCHEMBL12735646

SCHEMBL12735646

C=Cc1ccc(-c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.38
▸ GABRA1 P14867 3/20 0.35
▸ GABRB2 P47870 3/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ PPARD Q03181 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 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
SCHEMBL12740096 0.91 GABRA1 (0.37) GABRA1GABRB2S1PR1SIRT2TUBB1
SCHEMBL12717005 0.91 GABRA1 (0.37) GABRA1GABRB2S1PR1SIRT2TUBB1
SCHEMBL12735649 0.90 NAAA (0.38) NAAAGABRA1GABRB2S1PR1SIRT2
SCHEMBL22277696 0.89 GABRA1 (0.39) NAAAGABRA1GABRB2SIRT2TUBB1
SCHEMBL12740138 0.89 TUBB1 (0.38) NAAAGABRA1GABRB2S1PR1SIRT2
SCHEMBL12738882 0.89 NAAA (0.36) NAAAGABRA1GABRB2S1PR1SIRT2
SCHEMBL12735642 0.88 NAAA (0.41) NAAAGABRA1GABRB2S1PR1FFAR4
SCHEMBL12735640 0.88 NAAA (0.41) NAAAS1PR1FFAR4FAAHCYP17A1
SCHEMBL20803731 0.88 TUBB1 (0.41) NAAAGABRA1GABRB2S1PR1SIRT2
SCHEMBL14766297 0.87 FFAR1 (0.42) NAAAS1PR1FFAR4CYP17A1RXRA

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 NAAA 3997/4885GABRA1 3981/4885GABRB2 4384/4885

“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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