SCHEMBL6943141

SCHEMBL6943141

O=C(O)C=CC(=O)OC#CCI

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.41
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6943135 1.00 HCAR2 (0.41) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL6943131 0.92 KEAP1 (0.31) HCAR2
SCHEMBL27724490 0.76 HCAR2 (0.37) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL8172217 0.65
SCHEMBL18784689 0.63 HCAR2 (0.55) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL18784690 0.63 HCAR2 (0.55) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL20673701 0.63
SCHEMBL7060098 0.63
SCHEMBL1979606 0.62 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL8978208 0.62 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030039580-A1 Stable preservative formulations comprising halopropynyl compounds and butoxydiglycol solvent LONZA INC. (US) 2003-02-27 US claimed
WO-2002067685-A1 STABLE PRESERVATIVE FORMULATIONS COMPRISING HALOPROPYNYL COMPOUNDS AND BUTOXYDIGLYCOL SOLVENT LONZA INC. (US) 2002-09-06 WO claimed
EP-1022950-B1 STABILISED MIXTURES OF AN IODOPROPARGYL COMPOUND AND A FORMALDEHYDE DONOR LONZA AG (US) 2003-08-20 EP disclosed
US-6582627-B1 Aqueous liquid, broad-spectrum, low free-formaldehyde synergistic preservative mixtures of an iodopropynyl compound and a formaldehyde donor LONZA INC. 2003-06-24 US disclosed
US-20030039580-A1 Stable preservative formulations comprising halopropynyl compounds and butoxydiglycol solvent LONZA INC. (US) 2003-02-27 US disclosed
WO-2002067685-A1 STABLE PRESERVATIVE FORMULATIONS COMPRISING HALOPROPYNYL COMPOUNDS AND BUTOXYDIGLYCOL SOLVENT LONZA INC. (US) 2002-09-06 WO disclosed
US-6143204-A STABILIZED IODOPROPYNYL SOLUTION CONSISTS OF AN IODOPROPYNYL COMPOUND AND A STABILIZER WHICH IS HYDANTOIN OR DERIVATIVE LONZA INC. (US) 2000-11-07 US disclosed
EP-1022950-A1 STABILISED MIXTURES OF AN IODOPROPARGYL COMPOUND AND A FORMALDEHYDE DONOR LONZA INC. (US) 2000-08-02 EP disclosed
WO-1999065316-A9 STABILIZED MIXTURES OF AN IODOPROPARGYL COMPOUND AND A FORMALDEHYDE DONOR LONZA AG (US) 2000-03-23 WO disclosed
WO-1999065316-A1 STABILIZED MIXTURES OF AN IODOPROPARGYL COMPOUND AND A FORMALDEHYDE DONOR LONZA INC. (US) 1999-12-23 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-20030039580-A1 Stable preservative formulations comprising halopropynyl compounds and butoxydiglycol solvent DDC, HDHD5, GMDS HCAR2 2085/4885TSHR 3963/4885TP53 849/4885

“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.