SCHEMBL5229472

SCHEMBL5229472

OC(=Cc1ccc(F)c(F)c1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=Cc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.41
▸ NFE2L2 Q16236 2/20 0.39
▸ PLA2G7 Q13093 2/20 0.39
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ JUN P05412 1/20 0.32
▸ CES2 O00748 2/20 0.32
▸ CES1 P23141 2/20 0.32
▸ PIM1 P11309 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
SCHEMBL27532545 0.89 PDE4A (0.40) TRPA1NFE2L2PLA2G7GRIN1GRIN2B
SCHEMBL6311091 0.84 KCNA3 (0.34) TRPA1
SCHEMBL6439481 0.84 KCNA3 (0.34) TRPA1
SCHEMBL5231365 0.84 GPR183 (0.34) TRPA1NFE2L2NPC1MAPTRAB9A
SCHEMBL5229485 0.84 TRPA1 (0.44) TRPA1NPC1MAPTRAB9AALDH1A1
SCHEMBL5230461 0.84 KCNA3 (0.34) TRPA1
SCHEMBL5231765 0.84 GABRA1 (0.46) TRPA1NFE2L2PTGS2JUN
SCHEMBL27176003 0.84 GABRA1 (0.46) TRPA1NFE2L2PTGS2JUN
SCHEMBL28684322 0.81 GABRA1 (0.46) TRPA1NFE2L2PTGS2JUN
SCHEMBL5229721 0.81 GABRA1 (0.46) TRPA1NFE2L2PTGS2JUN

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313741-B1 FLUORINATED AND ALKYLATED ALDITOL DERIVATIVES AND POLYOLEFIN ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2007-05-23 — — EP claimed
US-6906207-B2 Polymer additive compositions and articles comprising novel fluorinated and alkylated alditol derivatives MILLIKEN & COMPANY (US) 2005-06-14 — — US claimed
US-20030181552-A1 Polymer additive compositions and articles comprising novel fluorinated and alkylated alditol derivatives ANDERSON JOHN D (US) 2003-09-25 — — US claimed
EP-1313741-A2 FLUORINATED AND ALKYLATED ALDITOL DERIVATIVES AND POLYOLEFIN ARTICLES CONTAINING SAME Milliken & Company (US) 2003-05-28 — — EP claimed
US-20020062034-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same MILLIKEN &COMPANY 2002-05-23 — — US claimed
WO-2002020528-A2 FLUORINATED AND ALKYLATED ALDITOL DERIVATIVES AND POLYOLEFIN ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-03-14 — — WO claimed
EP-1313741-B1 FLUORINATED AND ALKYLATED ALDITOL DERIVATIVES AND POLYOLEFIN ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2007-05-23 — — EP disclosed
US-6906207-B2 Polymer additive compositions and articles comprising novel fluorinated and alkylated alditol derivatives MILLIKEN & COMPANY (US) 2005-06-14 — — US disclosed
US-6849747-B2 Fluorinated and alkylated dibenzylidene alditol derivatives MILLIKEN & COMPANY (US) 2005-02-01 — — US disclosed
US-6838568-B2 Fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same MILLIKEN & COMPANY (US) 2005-01-04 — — US disclosed
US-20040116515-A1 Novel fluorinated and alkylated dibenzylidene alditol derivatives ANDERSON JOHN D (US) 2004-06-17 — — US disclosed
US-20040110967-A1 Novel fluorinated and alkylated dibenzylidene alditol derivatives ANDERSON JOHN D (US) 2004-06-10 — — US disclosed
US-6734238-B2 RADIATION TRANSPARENT; ANTIPERSPIRANT GEL MILLIKEN & COMPANY 2004-05-11 — — US disclosed
US-20030181552-A1 Polymer additive compositions and articles comprising novel fluorinated and alkylated alditol derivatives ANDERSON JOHN D (US) 2003-09-25 — — US disclosed
US-20030181534-A1 Gels comprising novel fluorinated and alkylated alditol derivatives ANDERSON JOHN D (US) 2003-09-25 — — US disclosed
US-20030171462-A1 Polyolefin compositions and articles comprising novel fluorinated and alkylated alditol derivatives ANDERSON JOHN D (US) 2003-09-11 — — US disclosed
US-20030139612-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same ANDERSON JOHN D (US) 2003-07-24 — — US disclosed
EP-1313741-A2 FLUORINATED AND ALKYLATED ALDITOL DERIVATIVES AND POLYOLEFIN ARTICLES CONTAINING SAME Milliken & Company (US) 2003-05-28 — — EP disclosed
US-20020062034-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same MILLIKEN &COMPANY 2002-05-23 — — US disclosed
WO-2002020528-A2 FLUORINATED AND ALKYLATED ALDITOL DERIVATIVES AND POLYOLEFIN ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-03-14 — — 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 (3 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-20030139612-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same ALDOA, SORD, ADH1A TRPA1 2462/4885NFE2L2 3700/4885PLA2G7 893/4885
US-20040110967-A1 Novel fluorinated and alkylated dibenzylidene alditol derivatives ALDOA, DERA, SORD TRPA1 2764/4885NFE2L2 3433/4885PLA2G7 1952/4885
US-20020062034-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same ALDOA, SORD, DERA TRPA1 2333/4885NFE2L2 3735/4885PLA2G7 965/4885

“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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