SCHEMBL12716607

SCHEMBL12716607

CCCC(O)C1CCC(c2ccc(OCC3CCC(c4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.34
▸ CNR2 P34972 3/20 0.33
▸ FFAR1 O14842 9/20 0.33
▸ SCN9A Q15858 3/20 0.31
▸ MCHR1 Q99705 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL12822778 0.94 CNR2 (0.34) FPR2CNR2FFAR1SCN9AGPR119
SCHEMBL12823827 0.90 CNR2 (0.35) FPR2CNR2FFAR1SCN9A
SCHEMBL12716952 0.89 FPR2 (0.36) FPR2CNR2FFAR1SCN9AGPR119
SCHEMBL12821278 0.89 CNR2 (0.35) FPR2CNR2FFAR1SCN9AMCHR1
SCHEMBL13586130 0.86 FPR2 (0.36) FPR2CNR2SCN9A
SCHEMBL12822744 0.86 CNR2 (0.37) FPR2CNR2SCN9A
SCHEMBL12907064 0.86 FPR2 (0.33) FPR2CNR2FFAR1SCN9A
SCHEMBL12823109 0.85 HPGD (0.32) —
SCHEMBL12823809 0.84 CNR2 (0.38) CNR2FFAR1SCN9A
SCHEMBL12821285 0.84 HTR2A (0.37) CNR2FFAR1SCN9AGPR119

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 3 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
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
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 FPR2 589/4885CNR2 686/4885FFAR1 247/4885

“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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