SCHEMBL12740484

SCHEMBL12740484

C=Cc1ccc(-c2ccc(-c3ccc(OCc4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ FFAR1 O14842 3/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RET P07949 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 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
SCHEMBL12737014 1.00 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12737085 0.91 FFAR1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10302526 0.90 PKM (0.39) FFAR1FFAR4CACNA1CPKMMEN1
SCHEMBL12994812 0.89 FFAR1 (0.33) FFAR1FFAR4CACNA1CRETCYP1A2
SCHEMBL14766253 0.89 FFAR1 (0.41) FFAR1FFAR4CACNA1CRETCYP1A2
SCHEMBL14767163 0.89 FFAR1 (0.41) FFAR1FFAR4CACNA1CRETCYP1A2
SCHEMBL12737127 0.87 FFAR1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12737017 0.87 RELA (0.37) FFAR1FFAR4CACNA1CPKMMEN1
SCHEMBL12740486 0.87 RELA (0.37) FFAR1FFAR4CACNA1CPKMMEN1
SCHEMBL10302498 0.86 FFAR1 (0.39) FFAR1FFAR4CACNA1CRETCYP1A2

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 CHRNB2 1997/4885CHRNB4 2249/4885CHRNA3 917/4885

“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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