SCHEMBL6311091

SCHEMBL6311091

OC(=Cc1ccc(Cl)c(F)c1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C(O)=C\c1ccc(Cl)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ KMO O15229 2/20 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
SCHEMBL6439481 1.00 KCNA3 (0.34) KCNA3TRPA1PPARGPPARAKMO
SCHEMBL5230461 1.00 KCNA3 (0.34) KCNA3TRPA1PPARGPPARAKMO
SCHEMBL5229485 0.87 TRPA1 (0.44) TRPA1KMO
SCHEMBL5229472 0.84 TRPA1 (0.41) TRPA1
SCHEMBL1406219 0.84 ALDH1A1 (0.44) KMO
SCHEMBL5231365 0.80 GPR183 (0.34) TRPA1KMO
SCHEMBL6015169 0.80 KMT2A (0.35) —
SCHEMBL5231765 0.77 GABRA1 (0.46) TRPA1
SCHEMBL6015157 0.77 CYP3A4 (0.36) KMO
SCHEMBL27176003 0.77 GABRA1 (0.46) TRPA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20020062034-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same MILLIKEN &COMPANY 2002-05-23 — — US 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-20020062034-A1 Novel fluorinated and alkylated alditol derivatives and compositions and polyolefin articles containing same ALDOA, SORD, DERA KCNA3 2879/4885TRPA1 2333/4885PPARG 813/4885

“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.

Send feedback