SCHEMBL5076701

SCHEMBL5076701

COC(=O)C(C)C(=O)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CA14 Q9ULX7 2/20 0.38
CA12 O43570 1/20 0.35
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL7096981 0.85 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL1920162 0.84 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL16160087 0.79 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL28785913 0.78
SCHEMBL27256616 0.78
SCHEMBL275280 0.78 SMN1; SMN2 (0.52) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL7100492 0.78 CA1 (0.38) SMN1; SMN2CA14CA12ALDH1A1CA1
SCHEMBL197339 0.77 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL27485803 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL5074743 0.76 ALDH1A1 (0.40) SMN1; SMN2CA14CA12ALDH1A1KMT2A

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
CN-103214355-B A kind of method prepared containing methyl fluoride or aryl alkyl ketone JIANGSU ZHONGDAN PHARMACEUTICAL RESEARCH Co.,Ltd. (CN) 2016-02-17 CN disclosed
EP-1765764-B1 PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2014-05-21 EP disclosed
CN-103214355-A Method for preparing fluorine-containing methyl or alkylaryl ketones JIANGSU ZHONGDAN PHARMACEUTICAL RES CO LTD 2013-07-24 CN disclosed
US-7355065-B2 Process for the preparation of 4,4-difluoro-3-oxobutanoic acid esters SYNGENTA CROP PROTECTION, INC. (US) 2008-04-08 US disclosed
US-20080004465-A1 Process for the Preparation of 4,4-Difluoro-3-Oxobutanoic Acid Esters SYNGENTA CROP PROTECTION, INC. 2008-01-03 US disclosed
EP-1765764-A1 PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS Syngeta Participations AG (CH) 2007-03-28 EP disclosed
WO-2006005612-A1 PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2006-01-19 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 (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-20080004465-A1 Process for the Preparation of 4,4-Difluoro-3-Oxobutanoic Acid Esters FFAR4, OGDH, AKR1C4 SMN1; SMN2 2026/4885CA14 501/4885CA12 399/4885

“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.