SCHEMBL12823832

SCHEMBL12823832

C=CCCOc1ccc(OCC2CCC(c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.34
▸ FEN1 P39748 3/20 0.34
▸ CNR2 P34972 12/20 0.33
▸ CNR1 P21554 4/20 0.32
▸ ACACB O00763 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL12823351 1.00 ALOX5AP (0.34) ALOX5APFEN1CNR2CNR1ACACB
SCHEMBL12821093 0.94 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL12823834 0.91 PDE4D (0.34) ALOX5APFEN1CNR2CNR1
SCHEMBL12717146 0.91 PDE4D (0.34) ALOX5APFEN1CNR2CNR1
SCHEMBL12821949 0.90 FFAR1 (0.35) ACACB
SCHEMBL12822997 0.90 ACACB (0.36) ACACB
SCHEMBL12823022 0.90 FFAR1 (0.38) ACACBFFAR4
SCHEMBL12821160 0.90 ALOX5AP (0.32) ALOX5APFEN1CNR2
SCHEMBL12823881 0.90 ALOX5AP (0.32) ALOX5APFEN1CNR2
SCHEMBL12822856 0.89 — —

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 ALOX5AP 1673/4885FEN1 3340/4885CNR2 686/4885

“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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