Acetone

Acetone

SCHEMBL2954541

CC(C)=O.O=C(O)c1ccon1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.40
RAPGEF3 O95398 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 7/20 0.37
MAPT P10636 2/20 0.36
KDM6B O15054 1/20 0.36
TET3 O43151 1/20 0.36
KDM4A O75164 1/20 0.36
BBOX1 O75936 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
ASPH Q12797 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
TET2 Q6N021 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36

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
SCHEMBL109365 0.93
Hydrochloric Acid SCHEMBL11453074 0.91
Formaldehyde SCHEMBL1558516 0.89 CHRNA4 (0.41) CHRNA4RAPGEF3RAPGEF4KDM4EALOX15
SCHEMBL11166684 0.73
SCHEMBL19913349 0.72 RAPGEF3 (0.44) CHRNA4RAPGEF3RAPGEF4KDM4ETSHR
SCHEMBL2362735 0.72 CHRNA4 (0.39) CHRNA4RAPGEF3RAPGEF4KDM4EALDH1A1
SCHEMBL953695 0.72
SCHEMBL13799196 0.72 CHRNA4 (0.39) CHRNA4RAPGEF3RAPGEF4ALDH1A1SMN1; SMN2
SCHEMBL9709795 0.68 CHRNA4 (0.38) CHRNA4RAPGEF3RAPGEF4TSHRALDH1A1
SCHEMBL656888 0.68 ATM (0.43) CHRNA4KDM4EALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749980-B2 Non-nucleotide compositions and method for treating pain INSPIRE PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
EP-1685135-B1 TETRAHYDRO-FURO[3,4-d]DIOXOLE COMPOUNDS AND COMPOSITIONS AND METHOD FOR INHIBITING PLATELET AGGREGATION INSPIRE PHARMACEUTICALS INC (US) 2010-05-26 EP disclosed
US-7368438-B2 Non-nucleotide compositions and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20070123544-A1 Non-nucleotide compositions and method for treating pain INSPIRE PHARMACEUTICALS, INC. 2007-05-31 US disclosed
EP-1685135-A1 TETRAHYDRO-FURO¬3,4-D|DIOXOLE COMPOUNDS AND COMPOSITIONS AND METHOD FOR INHIBITING PLATELET AGGREGATION Inspire Pharmaceuticals, Inc. (US) 2006-08-02 EP disclosed
US-20050159388-A1 Non-nucleotide compositions and method for inhibiting platelet aggregation INSPIRE PHARMACEUTICALS, INC. 2005-07-21 US disclosed
WO-2005040174-A1 TETRAHYDRO-FURO`3,4-D!DIOXOLE COMPOUNDS AND COMPOSITIONS AND METHOD FOR INHIBITING PLATELET AGGREGATION INSPIRE PHARMACEUTICALS, INC. (US) 2005-05-06 WO disclosed
WO-2005039590-A1 NON-NUCLEOTIDE COMPOSITIONS AND METHOD FOR TREATING PAIN INSPIRE PHARMACEUTICALS, INC. (US) 2005-05-06 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-20070123544-A1 Non-nucleotide compositions and method for treating pain P2RX3, P2RX5, P2RX1 CHRNA4 120/4885RAPGEF3 321/4885RAPGEF4 391/4885
US-20050159388-A1 Non-nucleotide compositions and method for inhibiting platelet aggregation P2RY12, P2RY11, P2RY13 CHRNA4 737/4885RAPGEF3 195/4885RAPGEF4 409/4885

“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.