SCHEMBL12717609

SCHEMBL12717609

C=Cc1ccc(-c2ccc(OCc3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.39
▸ PPARD Q03181 5/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TACR2 P21452 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ S1PR3 Q99500 3/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ HMOX1 P09601 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL12741009 0.94 FFAR1 (0.44) FFAR1PPARDPPARGPPARAMAPT
SCHEMBL12717602 0.91 FFAR1 (0.41) FFAR1PPARDPPARGPPARAMAPT
SCHEMBL12740976 0.90 FFAR1 (0.44) FFAR1PPARDPPARGPPARAMAPT
SCHEMBL14765896 0.90 FFAR1 (0.46) FFAR1PPARDPPARGPPARAMAPT
SCHEMBL12740940 0.89 TACR2 (0.42) MAPTTACR2GAAFFAR4PKM
SCHEMBL12736487 0.89 TACR2 (0.42) MAPTTACR2GAAFFAR4PKM
SCHEMBL14766359 0.88 FFAR1 (0.40) FFAR1PPARDPPARGPPARAMAPT
SCHEMBL12717085 0.88 FFAR1 (0.42) FFAR1PPARDPPARGPPARATACR2
SCHEMBL10302244 0.88 FFAR1 (0.39) FFAR1PPARDPPARGPPARAMAPT
SCHEMBL12717226 0.88 FFAR1 (0.42) FFAR1PPARDMAPTS1PR1S1PR3

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 5 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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP 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 247/4885PPARD 3762/4885PPARG 3918/4885

“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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