SCHEMBL12740579

SCHEMBL12740579

C=Cc1ccc(-c2ccc(-c3ccc(OCc4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ FFAR1 O14842 6/20 0.39
▸ FFAR4 Q5NUL3 3/20 0.39
▸ CACNA1C Q13936 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PPARD Q03181 1/20 0.36
▸ 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
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GYS1 P13807 2/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ RELA Q04206 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12737127 0.95 FFAR1 (0.38) GSK3BBACE1FFAR1FFAR4CACNA1C
SCHEMBL14767038 0.90 FFAR1 (0.45) GSK3BBACE1FFAR1FFAR4CACNA1C
SCHEMBL10302526 0.89 PKM (0.39) GSK3BBACE1FFAR1FFAR4CACNA1C
SCHEMBL14767044 0.88 MAOB (0.40) GSK3BBACE1FFAR1FFAR4CACNA1C
SCHEMBL12740172 0.87 FFAR1 (0.36) FFAR1FFAR4PPARDCHRNB2CHRNB4
SCHEMBL12740582 0.87 GSK3B (0.44) GSK3BBACE1FFAR1FFAR4CACNA1C
SCHEMBL14767167 0.86 FFAR1 (0.42) GSK3BBACE1FFAR1FFAR4CACNA1C
SCHEMBL12740588 0.85 FFAR1 (0.45) FFAR1FFAR4CACNA1CMAOBPPARD
SCHEMBL12823857 0.85 LMNA (0.46) FFAR1FFAR4CACNA1CMAOBPPARD
SCHEMBL14766204 0.85 FFAR1 (0.43) FFAR1FFAR4CACNA1CMAOBPPARD

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 4 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

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 GSK3B 1027/4885BACE1 1340/4885FFAR1 247/4885

“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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