SCHEMBL6445786

SCHEMBL6445786

C=CCN(CC=C)P(=C(F)F)(N(CC=C)CC=C)N(CC=C)CC=C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL6006269 0.65 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7205719 0.63
SCHEMBL423317 0.63 ALDH1A1 (0.39) ALDH1A1
SCHEMBL10786844 0.62 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21224872 0.60 ALDH1A1 (0.46) ALDH1A1
SCHEMBL707960 0.59 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4212873 0.59 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1835957 0.59
Hydrochloric Acid SCHEMBL38651990 0.58 ALDH1A1 (0.34) ALDH1A1
SCHEMBL22591363 0.58 ALDH1A1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864397-B2 Difluoromethyl ether derivative and process for producing the same CHISSO CORPORATION (JP) 2005-03-08 US disclosed
US-6827876-B2 Using alpha, alpha -difluorocyclohexylidene derivative as starting material to obtain difluoromethyl ether derivative CHISSO CORPORATION (JP) 2004-12-07 US disclosed
US-20040016906-A1 Difluoromethyl ether derivative and process for producing the same JNC CORPORATION (JP) 2004-01-29 US disclosed
US-20040004207-A1 Difluoromethyl ether derivative and process for producing the same JNC CORPORATION (JP) 2004-01-08 US disclosed
US-6605747-B2 Reacting the starting material, an alpha , alpha -difluorocyclohexylidene derivative with a halogen to produce an intermediate, reacting the intermediate with a phenol compound in presence of a base CHISSO CORPORATION (JP) 2003-08-12 US disclosed
US-20020120168-A1 Difluoromethyl ether derivative and process for producing the same JNC PETROCHEMICAL CORPORATION (JP) 2002-08-29 US disclosed
EP-1182186-A2 Difluoromethyl ether derivative and process for producing the same CHISSO CORPORATION (JP) 2002-02-27 EP 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-20040004207-A1 Difluoromethyl ether derivative and process for producing the same RCC1, PYM1, SCFD1 ALDH1A1 951/4885
US-20040016906-A1 Difluoromethyl ether derivative and process for producing the same RCC1, SCFD1, AFF1 ALDH1A1 958/4885
US-20020120168-A1 Difluoromethyl ether derivative and process for producing the same LEF1, AFF1, RCC1 ALDH1A1 903/4885

“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.