Acetone

Acetone

SCHEMBL1591738

CC(C)=O.O=C(O)CC(Cl)(Cl)Cl

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
TSHR P16473 3/20 0.43
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.35
FFAR3 O14843 2/20 0.35
TP53 P04637 1/20 0.35
SLC15A2 Q16348 1/20 0.35
MIF P14174 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33

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
Acetic Acid SCHEMBL1591292 0.94 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ATSHR
Methyl Alcohol SCHEMBL1615268 0.91 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL555590 0.91
SCHEMBL11184979 0.88 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ATSHR
Hydrochloric Acid SCHEMBL8555531 0.88
Water SCHEMBL4737329 0.88
SCHEMBL28366269 0.88
Alcohol SCHEMBL8163303 0.86 HMGCR (0.43) HMGCRCHRM1TBXA2RADRA1ATSHR
Benzene SCHEMBL1935095 0.85 ALDH1A1 (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR
Formaldehyde SCHEMBL11223994 0.85 ALDH1A1 (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420646-B2 Tricyclic tetrahydroquinoline antibacterial agents PAH P&U LLC (US) 2013-04-16 US disclosed
US-8017111-B2 Metabolic product is chanoclavine MAYEKAWA MANUFACTURING CO., LTD. (JP) 2011-09-13 US disclosed
US-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents PHARMACIA & UPJOHN COMPANY 2011-04-21 US disclosed
EP-1551849-B1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2010-07-14 EP disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 US disclosed
US-7605157-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2009-10-20 US disclosed
US-20080207451-A1 Method of introducing symbiotic fungus into plant MAYEKAWA MANUFACTURING CO., LTD. (JP) 2008-08-28 US disclosed
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2007-07-12 US disclosed
US-7208490-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2007-04-24 US disclosed
EP-1551849-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2005-07-13 EP disclosed
EP-0420232-B1 Water soluble derivatives of glycoside bioflavonoids, processes for their preparation and related pharmaceutical compositions EUROP PHARMACY SRL (IT) 1997-03-26 EP disclosed
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
US-5084560-A Joining aconitic anhydride to an amino group, reacting with lysine and antibodies ONCOGEN (US) 1992-01-28 US disclosed
EP-0428188-A2 Novel immunoconjugates and methods for their use in tumor therapy ONCOGEN (US) 1991-05-22 EP disclosed
EP-0420232-A2 Water soluble derivatives of glycoside bioflavonoids, processes for their preparation and related pharmaceutical compositions EUROPEAN PHARMACY Srl (IT) 1991-04-03 EP disclosed
US-4997913-A Antibody-spacer-drug ONCOGEN (US) 1991-03-05 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed
US-4784804-A N,N'-bis(4-azidobenzoyl)cystine NEW YORK UNIVERSITY (US) 1988-11-15 US disclosed
EP-0253202-A2 Novel immunoconjugates and methods for their use in tumor therapy ONCOGEN (US) 1988-01-20 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 (3 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-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents QTRT1, QTRT2, NQO2 HMGCR 1977/4885CHRM1 4244/4885TBXA2R 1381/4885
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 HMGCR 1977/4885CHRM1 4244/4885TBXA2R 1381/4885
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 HMGCR 1977/4885CHRM1 4244/4885TBXA2R 1381/4885

“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.