SCHEMBL12823150

SCHEMBL12823150

C=CCCOc1ccc(C2CCC(COc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.39
▸ ACACB O00763 5/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ ACACA Q13085 2/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ SCN9A Q15858 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
SCHEMBL12822350 0.95 FFAR1 (0.40) FFAR1ACACBACACAPPARD
SCHEMBL12821840 0.91 FFAR1 (0.40) FFAR1ACACBGPR119ACACAPPARD
SCHEMBL12823536 0.91 FFAR1 (0.42) FFAR1ACACBACACAPPARD
SCHEMBL12822809 0.91 CNR2 (0.34) FFAR1ACACB
SCHEMBL12822788 0.91 CNR2 (0.34) FFAR1ACACB
SCHEMBL12822681 0.90 FFAR1 (0.37) FFAR1ACACBGPR119PPARDSCN9A
SCHEMBL10303246 0.89 FFAR1 (0.38) FFAR1ACACBGPR119ACACAPPARD
SCHEMBL12735935 0.88 SCN9A (0.40) FFAR1PPARDSCN9A
SCHEMBL12823094 0.88 FFAR1 (0.43) FFAR1ACACBGPR119PPARD
SCHEMBL12821161 0.87 FFAR1 (0.34) FFAR1ACACBSCN9A

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 247/4885ACACB 3260/4885GPR119 3675/4885

“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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