SCHEMBL12822375

SCHEMBL12822375

C=CCOc1ccc(OCc2ccc(-c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.37
▸ GYS1 P13807 1/20 0.36
▸ PPARD Q03181 9/20 0.34
▸ FFAR4 Q5NUL3 7/20 0.34
▸ F10 P00742 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 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
SCHEMBL12823577 0.97 FFAR1 (0.39) FFAR1GYS1PPARDFFAR4F10
SCHEMBL12716864 0.93 FFAR1 (0.37) FFAR1GYS1FFAR4F10
SCHEMBL12823085 0.92 FFAR1 (0.36) FFAR1PPARDFFAR4F10PPARA
SCHEMBL12718829 0.92 GYS1 (0.42) FFAR1GYS1PPARDFFAR4PPARA
SCHEMBL12823345 0.90 FFAR1 (0.38) FFAR1PPARDFFAR4F10PPARA
SCHEMBL12823891 0.90 FFAR1 (0.42) FFAR1PPARDFFAR4F10
SCHEMBL12740917 0.90 GYS1 (0.36) FFAR1GYS1PPARDF10PPARA
SCHEMBL12822999 0.89 FEN1 (0.35) FFAR1GYS1FFAR4ALOX5APFEN1
SCHEMBL12716828 0.89 FEN1 (0.35) FFAR1GYS1FFAR4ALOX5APFEN1
SCHEMBL12822841 0.88 FFAR1 (0.42) FFAR1PPARDFFAR4F10PPARA

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-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 247/4885GYS1 4252/4885PPARD 3762/4885

“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.

Send feedback