Acetone

Acetone

SCHEMBL254033

CC(C)=O.CCC1CCC1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.33
HSD11B1 P28845 1/20 0.32
EPHX1 P07099 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.32

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 SCHEMBL28163399 0.92 CYP1A2 (0.42) ALOX5CYP1A2HSD11B1EPHX1HPGD
Bicarbonate SCHEMBL2862271 0.89 ALOX5 (0.38) ALOX5POLBCYP1A2LMNACYP19A1
Acetic Acid SCHEMBL27585871 0.86 CYP1A2 (0.37) ALOX5CYP1A2LMNAHSD11B1EPHX1
Methyl Alcohol SCHEMBL21227036 0.85
SCHEMBL5691759 0.85 CYP1A2 (0.41) POLBALDH1A1TDP1CYP1A2HPGD
SCHEMBL5684 0.85
SCHEMBL5017989 0.84 ALOX5 (0.35) ALOX5POLBALDH1A1TDP1CYP1A2
Cyclohexane SCHEMBL28777359 0.84 CYP1A2 (0.41) ALOX5CYP1A2LMNAHSD11B1EPHX1
Acetic Acid SCHEMBL2485175 0.84 CYP1A2 (0.41) ALOX5CYP1A2LMNAHSD11B1EPHX1
Methacrylic Acid SCHEMBL9236260 0.84 TDP1 (0.35) ALOX5POLBTDP1

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 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46318-E1 Colored fluids for electrowetting, electrofluidic, and electrophoretic technologies SUN CHEMICAL CORPORATION (US) 2017-02-21 US claimed
US-8717663-B2 Colored fluids for electrowetting, electrofluidic, and electrophoretic technologies SUN CHEMICAL CORPORATION (US) 2014-05-06 US claimed
US-7579495-B2 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2009-08-25 US claimed
US-20080112993-A1 High-dose, long-lasting ectoparasiticide for extended control WYETH (US) 2008-05-15 US claimed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-10907116-B2 Olfactive compositions comprising cyclohexyl-alkyl carbinols P2 SCIENCE, INC. (US) 2021-02-02 US disclosed
EP-3247691-B1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEOPENTYL GLYCOL DIACETATE P2 SCIENCE INC (US) 2020-09-16 EP disclosed
EP-3414309-A1 FRAGRANCE COMPOSITIONS COMPRISING COMPOUNDS WITH OLFACTORY QUALITIES P2 Science, Inc. (US) 2018-12-19 EP disclosed
US-20180346844-A1 FRAGRANCE COMPOSITIONS COMPRISING COMPOUNDS WITH OLFACTORY QUALITIES P2 SCIENCE, INC. 2018-12-06 US disclosed
US-10072233-B2 Fragrance and flavor compositions comprising neopentyl glycol diacetate P2 SCIENCE, INC. (US) 2018-09-11 US disclosed
US-20180163158-A1 OLFACTIVE COMPOSITIONS COMPRISING CYCLOHEXYL-ALKYL CARBINOLS P2 SCIENCE, INC. 2018-06-14 US disclosed
EP-3303534-A1 OLFACTIVE COMPOSITIONS COMPRISING CYCLOHEXYL-ALKYL CARBINOLS P2 Science, Inc. (US) 2018-04-11 EP disclosed
US-20080308005-A1 Non-Aqueous Pigment Dispersions Using Dispersion Synergists AGFA GRAPHICS NV (BE) 2008-12-18 US disclosed
US-20080312358-A1 Non-Aqueous Pigment Dispersions Containing Specific Dispersion Synergists AGFA GRAPHICS NV (BE) 2008-12-18 US disclosed
US-20080305261-A1 a mixture of organic pigments, polymeric dispersants and a quinacridone derivative containing acid groups or salts AGFA GRAPHICS NV (BE) 2008-12-11 US disclosed
US-20080295734-A1 a mixture of organic pigments, and a a dispersion synergist containing acid groups or salts AGFA GRAPHICS NV (BE) 2008-12-04 US disclosed
US-20080221003-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-11 US disclosed
US-20080207481-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US 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 (6 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-20080112993-A1 High-dose, long-lasting ectoparasiticide for extended control VEGFA, ENPP3, ESYT2 ALOX5 687/4885POLB 1496/4885ALDH1A1 2813/4885
US-20180163158-A1 OLFACTIVE COMPOSITIONS COMPRISING CYCLOHEXYL-ALKYL CARBINOLS ACMSD, TAS2R1, MINK1 ALOX5 304/4885POLB 3435/4885ALDH1A1 1201/4885
US-20050136021-A1 Active-releasing cyclic siloxanes F9, RPL39, ALDH16A1 ALOX5 340/4885POLB 2423/4885ALDH1A1 57/4885
US-10072233-B2 Fragrance and flavor compositions comprising neopentyl glycol diacetate DAGLA, NISCH, DDOST ALOX5 649/4885POLB 1934/4885ALDH1A1 1466/4885
US-10907116-B2 Olfactive compositions comprising cyclohexyl-alkyl carbinols ACMSD, TAS2R1, MINK1 ALOX5 304/4885POLB 3435/4885ALDH1A1 1201/4885
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 ALOX5 242/4885POLB 2636/4885ALDH1A1 672/4885

“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.