SCHEMBL5229721

SCHEMBL5229721

Cc1cc(C=C(O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=Cc2ccc(F)c(C)c2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ PTGS1 P23219 4/20 0.34
▸ PTGS2 P35354 4/20 0.34
▸ ALOX5 P09917 3/20 0.34
▸ NFE2L2 Q16236 1/20 0.33
▸ TRPA1 O75762 2/20 0.32
▸ TUBB1 Q9H4B7 2/20 0.31
▸ JUN P05412 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
SCHEMBL28684322 1.00 GABRA1 (0.46) GABRA1SIGMAR1PTGS1PTGS2ALOX5
SCHEMBL5231765 0.97 GABRA1 (0.46) GABRA1SIGMAR1PTGS1PTGS2ALOX5
SCHEMBL27176003 0.97 GABRA1 (0.46) GABRA1SIGMAR1PTGS1PTGS2ALOX5
SCHEMBL27532389 0.87 GABRA1 (0.42) GABRA1SIGMAR1TRPA1
SCHEMBL7117533 0.84 TUBB1 (0.37) PTGS1PTGS2ALOX5TUBB1
SCHEMBL5231365 0.83 GPR183 (0.34) GABRA1SIGMAR1PTGS1PTGS2ALOX5
SCHEMBL34956 0.81 TUBB1 (0.37) PTGS1PTGS2ALOX5TUBB1
SCHEMBL20599343 0.81 TUBB1 (0.37) PTGS1PTGS2ALOX5TUBB1
SCHEMBL29373037 0.81 TUBB1 (0.37) PTGS1PTGS2ALOX5TUBB1
SCHEMBL5229472 0.81 TRPA1 (0.41) PTGS2NFE2L2TRPA1JUN

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 15 patents. 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 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-6716439-B2 SOLID GELLED COMPOSITION COMPRISING GELLING AGENT SELECTED FROM BENZYLIDENE ALDITOL ACETALS HAVING AT LEAST ONE FLUORINE PENDANT GROUP AND AT LEAST ONE OTHER PENDANT GROUP, AND SOLVENT FOR GELLING AGENT MILLIKEN & COMPANY 2004-04-06 — — 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 GABRA1 1857/4885SIGMAR1 1692/4885PTGS1 2612/4885
US-20040110967-A1 Novel fluorinated and alkylated dibenzylidene alditol derivatives ALDOA, DERA, SORD GABRA1 1531/4885SIGMAR1 2718/4885PTGS1 3793/4885
US-20020062034-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same ALDOA, SORD, DERA GABRA1 2039/4885SIGMAR1 1882/4885PTGS1 2679/4885

“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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