SCHEMBL5229485

SCHEMBL5229485

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.44
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DPEP1 P16444 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ RPA1 P27694 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
SCHEMBL6439481 0.87 KCNA3 (0.34) TRPA1KMO
SCHEMBL5230461 0.87 KCNA3 (0.34) TRPA1KMO
SCHEMBL6311091 0.87 KCNA3 (0.34) TRPA1KMO
SCHEMBL1406219 0.84 ALDH1A1 (0.44) KMT2ADPEP1ALDH1A1NPSR1TSHR
SCHEMBL5229472 0.84 TRPA1 (0.41) TRPA1KMT2AALDH1A1MAPTNPC1
SCHEMBL5231765 0.80 GABRA1 (0.46) TRPA1
SCHEMBL27176003 0.80 GABRA1 (0.46) TRPA1
SCHEMBL6015157 0.80 CYP3A4 (0.36) KMT2APKMMAPK1ALDH1A1MEN1
SCHEMBL20506873 0.78 GRIK1 (0.44) TRPA1KMT2AALDH1A1HTTMEN1
SCHEMBL1373854 0.78 GRIK1 (0.44) TRPA1KMT2AALDH1A1HTTMEN1

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 2462/4885KMT2A 2465/4885POLB 950/4885
US-20040110967-A1 Novel fluorinated and alkylated dibenzylidene alditol derivatives ALDOA, DERA, SORD TRPA1 2764/4885KMT2A 2184/4885POLB 1110/4885
US-20020062034-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same ALDOA, SORD, DERA TRPA1 2333/4885KMT2A 2545/4885POLB 540/4885

“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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