Acetone

Acetone

SCHEMBL2176182

CC(C)=O.CC(C)=O.O=C[C@H](OC(=O)c1ccccc1O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL5012212 0.96 TDP1 (0.41) LMNATSHRTDP1ADRB2ADRB1
SCHEMBL6938579 0.96 TDP1 (0.41) LMNATSHRTDP1ADRB2ADRB1
SCHEMBL10873868 0.84 NPC1 (0.31) NPC1RAB9A
SCHEMBL23567079 0.83 ALDH1A1 (0.41) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL2174056 0.83 PTGS2 (0.47) LMNATSHRTDP1HPGDHSD17B10
SCHEMBL5035198 0.82 TSHR (0.39) TSHRHPGDALDH1A1KDM4EGAA
SCHEMBL5963748 0.79 TDP1 (0.43) LMNATSHRTDP1ADRB2ADRB1
SCHEMBL6057627 0.79 HPGD (0.43) LMNATSHRTDP1ADRB2ADRB1
SCHEMBL28439957 0.79 TDP1 (0.44) LMNATSHRTDP1ADRB2ADRB1
SCHEMBL28437577 0.79 TDP1 (0.44) LMNATSHRTDP1ADRB2ADRB1

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-20150250844-A1 FORMULATIONS FROM NATURAL PRODUCTS, TURMERIC, PACLITAXEL, AND ASPIRIN ORGANOMED CORPORATION 2015-09-10 US disclosed
US-9012411-B2 Formulations from derivatives of curcumin, paclitaxel, and aspirin ORGANOMED CORPORATION (US) 2015-04-21 US disclosed
US-20130029922-A1 FORMULATIONS FROM NATURAL PRODUCTS, TURMERIC, PACLITAXEL, AND ASPIRIN ORGANOMED CORPORATION (US) 2013-01-31 US disclosed
WO-2011082290-A2 FORMULATIONS FROM NATURAL PRODUCTS, TURMERIC, AND ASPIRIN ORGANOMED CORPORATION (US) 2011-07-07 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 (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-20150250844-A1 FORMULATIONS FROM NATURAL PRODUCTS, TURMERIC, PACLITAXEL, AND ASPIRIN PTGES, PTGES2, PTGES3 LMNA 3319/4885TSHR 3954/4885TDP1 3100/4885
US-20130029922-A1 FORMULATIONS FROM NATURAL PRODUCTS, TURMERIC, PACLITAXEL, AND ASPIRIN PTGES, PTGES2, PTGES3 LMNA 3319/4885TSHR 3954/4885TDP1 3100/4885

“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.