Acetone

Acetone

SCHEMBL2930477

CC(C)=O.Cc1ccc(CC(=O)O)cc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.58
CAMK2A Q9UQM7 1/20 0.58
AKR1B1 P15121 1/20 0.56
CTBP2 P56545 1/20 0.55
KLKB1 P03952 1/20 0.55
CTSB P07858 1/20 0.55
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 2/20 0.54
ABCC4 O15439 1/20 0.54
PTGS1 P23219 1/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
FFAR1 O14842 2/20 0.48

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
SCHEMBL92022 0.95 CA2 (0.62) CA2CAMK2AAKR1B1CTBP2KLKB1
SCHEMBL2525145 0.95 CA2 (0.62) CA2CAMK2AAKR1B1CTBP2KLKB1
SCHEMBL4452518 0.93 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
Ammonia Solution, Strong SCHEMBL22042020 0.93 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
SCHEMBL28830130 0.93 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
SCHEMBL388578 0.93 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
SCHEMBL4444930 0.93 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
Hydrochloric Acid SCHEMBL2529407 0.93 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
Methyl Alcohol SCHEMBL8762291 0.93 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
Phosphine SCHEMBL27524653 0.93 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
EP-2229373-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed
EP-0480708-B1 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1995-10-11 EP disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
US-5266568-A Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-11-30 US disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
EP-0480708-A2 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 EP disclosed
EP-0318093-A2 Diarylquinoline diacids and their use as medicaments MERCK FROSST CANADA INC. (CA) 1989-05-31 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 (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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 CA2 3097/4885CAMK2A 2167/4885AKR1B1 1083/4885

“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.