SCHEMBL12735728

SCHEMBL12735728

C=CCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.39
▸ FFAR1 O14842 6/20 0.39
▸ MAOB P27338 2/20 0.35
▸ S1PR1 P21453 4/20 0.35
▸ S1PR3 Q99500 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GAA P10253 4/20 0.32
▸ MGAM O43451 3/20 0.32
▸ SI P14410 3/20 0.32
▸ MGAM2 Q2M2H8 3/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL12740184 0.95 FFAR1 (0.41) FFAR4FFAR1MAOBS1PR1S1PR3
SCHEMBL14766076 0.91 MAOB (0.37) FFAR4FFAR1MAOBS1PR1S1PR3
SCHEMBL10301984 0.90 MAOB (0.36) FFAR4FFAR1MAOBS1PR1S1PR3
SCHEMBL12735729 0.90 FFAR1 (0.38) FFAR4FFAR1MAOBS1PR1S1PR3
SCHEMBL12735732 0.89 S1PR1 (0.39) FFAR4FFAR1MAOBS1PR1S1PR3
SCHEMBL12821271 0.87 APP (0.35) FFAR4FFAR1MAOBS1PR1S1PR3
SCHEMBL12737138 0.87 FFAR1 (0.41) FFAR4FFAR1MAOBLMNAMEN1
SCHEMBL12735718 0.87 FFAR4 (0.42) FFAR4FFAR1S1PR1S1PR3LMNA
SCHEMBL14766658 0.85 MAOB (0.39) FFAR4FFAR1MAOBS1PR1S1PR3
SCHEMBL12735719 0.85 S1PR1 (0.48) FFAR4FFAR1MAOBS1PR1S1PR3

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 2 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-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 FFAR4 546/4885FFAR1 247/4885MAOB 3160/4885

“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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