SCHEMBL12822758

SCHEMBL12822758

C=CCCCOc1ccc(OCC2CCC(c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 16/20 0.36
▸ PPARD Q03181 8/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ PPARA Q07869 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
SCHEMBL12822731 0.97 ACACB (0.34) FFAR1PPARDFFAR4ACACBPPARA
SCHEMBL12823840 0.96 FFAR1 (0.36) FFAR1PPARDFFAR4ACACBPPARA
SCHEMBL12822355 0.93 ACACB (0.36) FFAR1PPARDACACB
SCHEMBL12823104 0.92 FFAR1 (0.33) FFAR1PPARDFFAR4ACACB
SCHEMBL12717369 0.92 ALOX5AP (0.32) FFAR4
SCHEMBL12823836 0.92 ALOX5AP (0.32) FFAR4
SCHEMBL12822820 0.91 FFAR1 (0.39) FFAR1PPARDACACBPPARA
SCHEMBL12822498 0.89 ACACB (0.38) FFAR1PPARDACACBPPARA
SCHEMBL14767057 0.89 FFAR1 (0.39) FFAR1PPARDFFAR4PPARA
SCHEMBL12822695 0.89 FFAR4 (0.34) FFAR1FFAR4ACACB

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 247/4885PPARD 3762/4885FFAR4 546/4885

“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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