SCHEMBL12737127

SCHEMBL12737127

C=Cc1ccc(-c2ccc(COc3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.38
▸ FFAR4 Q5NUL3 3/20 0.38
▸ CACNA1C Q13936 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ PPARD Q03181 2/20 0.35
▸ HMOX1 P09601 2/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ GYS1 P13807 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12740579 0.95 GSK3B (0.40) FFAR1FFAR4CACNA1CGSK3BBACE1
SCHEMBL14766204 0.91 FFAR1 (0.43) FFAR1FFAR4CACNA1CPPARDHMOX1
SCHEMBL14766257 0.89 MAOB (0.39) FFAR1FFAR4CACNA1CPPARDHMOX1
SCHEMBL12737129 0.88 GSK3B (0.40) FFAR1FFAR4CACNA1CGSK3BBACE1
SCHEMBL10302499 0.88 HMOX1 (0.39) FFAR1FFAR4CACNA1CPPARDHMOX1
SCHEMBL12740484 0.87 CHRNB2 (0.36) FFAR1FFAR4CACNA1CGSK3BBACE1
SCHEMBL12737014 0.87 CHRNB2 (0.36) FFAR1FFAR4CACNA1CGSK3BBACE1
SCHEMBL12735712 0.87 S1PR1 (0.37) FFAR1FFAR4HMOX1CHRNB2CHRNB4
SCHEMBL14766225 0.87 FFAR1 (0.41) FFAR1FFAR4CACNA1CPPARDHMOX1
SCHEMBL12822089 0.86 LMNA (0.45) FFAR1FFAR4CACNA1CPPARDHMOX1

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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 FFAR1 247/4885FFAR4 546/4885CACNA1C 1160/4885

“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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