SCHEMBL12737129

SCHEMBL12737129

C/C=C/c1ccc(-c2ccc(COc3ccc(-c4ccc(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
▸ RELA Q04206 1/20 0.37
▸ FFAR1 O14842 5/20 0.37
▸ FFAR4 Q5NUL3 4/20 0.37
▸ ESR1 P03372 2/20 0.37
▸ AHR P35869 1/20 0.37
▸ PPARD Q03181 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35

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
SCHEMBL12740582 0.96 GSK3B (0.44) GSK3BBACE1RELAFFAR1FFAR4
SCHEMBL14766204 0.90 FFAR1 (0.43) FFAR1FFAR4PPARDCACNA1CMAOB
SCHEMBL12735713 0.88 S1PR1 (0.37) RELAFFAR1FFAR4ESR1AHR
SCHEMBL12737127 0.88 FFAR1 (0.38) GSK3BBACE1FFAR1FFAR4PPARD
SCHEMBL10302495 0.88 HMOX1 (0.39) GSK3BBACE1FFAR1FFAR4PPARD
SCHEMBL12737017 0.88 RELA (0.37) GSK3BBACE1RELAFFAR1FFAR4
SCHEMBL12740486 0.88 RELA (0.37) GSK3BBACE1RELAFFAR1FFAR4
SCHEMBL12737087 0.86 FFAR1 (0.41) GSK3BBACE1RELAFFAR1ESR1
SCHEMBL12737132 0.85 FFAR1 (0.43) FFAR1FFAR4PPARDCACNA1CMAOB
SCHEMBL12822089 0.85 LMNA (0.45) FFAR1FFAR4PPARDCACNA1CHMOX1

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 GSK3B 1027/4885BACE1 1340/4885RELA 3454/4885

“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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