Acetone

Acetone

SCHEMBL7722945

CC(=O)C(CO)(CO)CO.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.31
TRPA1 O75762 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
Acetone SCHEMBL8780130 1.00 LMNA (0.40) LMNAALDH1A1TDP1GAATRPA1
SCHEMBL2561638 0.97 ALDH1A1 (0.33) LMNAALDH1A1TDP1GAATRPA1
Acrylic Acid SCHEMBL29754165 0.81 LMNA (0.50) LMNAALDH1A1
SCHEMBL9248985 0.79 ALDH1A1 (0.33) ALDH1A1TDP1TRPA1
SCHEMBL16450972 0.75 FDPS (0.35) LMNAALDH1A1
SCHEMBL19734497 0.73 CYP4F2 (0.31)
Acetic Acid SCHEMBL9779003 0.71 FFAR3 (0.44) LMNAALDH1A1TDP1
Acetic Acid SCHEMBL8521559 0.71 FFAR3 (0.44) LMNAALDH1A1TDP1
SCHEMBL8074334 0.69 ALDH1A1 (0.41) LMNAALDH1A1TDP1GAATRPA1
Tribromoethanol SCHEMBL11210485 0.69 LMNA (0.43) LMNAALDH1A1TDP1TRPA1

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-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MUTABILIS (FR) 2019-05-28 US disclosed
EP-3110803-B1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2018-07-11 EP disclosed
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2017-01-19 US disclosed
EP-3110803-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Mutabilis (FR) 2017-01-04 EP disclosed
WO-2015128333-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LABORATOIRE BIODIM (FR) 2015-09-03 WO disclosed
US-6384151-B1 REACTING MALEIC ANHYDRIDE WITH WATER, REACTING REACTION MIXTURE WITH DICYCLOPENTADIENE, REACTING PRODUCT OBTAINED WITH POLYHYDRIC ALCOHOL, OR POLYHYDRIC ALCOHOL AND POLYBASIC ACID, TO OBTAIN DICYCLOPENTADIENE-MODIFIED UNSATURATED POLYESTER NIPPON SHOKUBAI CO., LTD. (JP) 2002-05-07 US disclosed
EP-1085032-A1 DICYCLOPENTADIENE-MODIFIED UNSATURATED POLYESTER, PROCESS FOR PRODUCING THE SAME, AND RESIN AND MOLDING MATERIAL EACH CONTAINING UNSATURATED POLYESTER Nippon Shokubai Co., Ltd. (JP) 2001-03-21 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 (2 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-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MSR1, IFNAR1, NOD2 LMNA 2216/4885ALDH1A1 2744/4885TDP1 4609/4885
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MSR1, IFNAR1, NOD2 LMNA 2216/4885ALDH1A1 2744/4885TDP1 4609/4885

“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.