Acetone

Acetone

SCHEMBL3134499

CC(C)=O.O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.56
KMT2A Q03164 4/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 7/20 0.52
HPGD P15428 4/20 0.50
MEN1 O00255 3/20 0.50
ALOX15 P16050 2/20 0.50
HIF1A Q16665 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA1 P00915 1/20 0.49

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
SCHEMBL10818750 0.89 ALDH1A1 (0.62) GPR35KMT2AHTTALDH1A1HPGD
SCHEMBL213849 0.89 ALDH1A1 (0.62) GPR35KMT2AHTTALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL11695961 0.87 ALDH1A1 (0.60) GPR35KMT2AHTTALDH1A1HPGD
Hydrochloric Acid SCHEMBL10582751 0.87 ALDH1A1 (0.60) GPR35KMT2AHTTALDH1A1HPGD
Alcohol SCHEMBL2355915 0.86 GPR35 (0.55) GPR35KMT2AHTTALDH1A1HPGD
SCHEMBL10483657 0.85 ALDH1A1 (0.50) GPR35KMT2AHTTALDH1A1HPGD
Trinitrophenol SCHEMBL28577416 0.82 GPR35 (0.69) GPR35KMT2AHTTALDH1A1HPGD
SCHEMBL1537703 0.81 GPR35 (0.46) GPR35KMT2AHTTALDH1A1HPGD
SCHEMBL9452637 0.80 ALDH1A1 (0.61) GPR35KMT2AHTTALDH1A1HPGD
SCHEMBL31053016 0.80 GPR35 (0.66) GPR35KMT2AHTTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116271-A1 TACROLIMUS-CONTAINING OIL-IN-WATER TYPE CREAMY COMPOSITION MARUHO CO., LTD. (JP) 2013-05-09 US disclosed
US-20100190695-A1 LIQUID CRYSTAL EMULSION TYPE PHARMACEUTICAL COMPOSITION CONTAINING CYCLOSPORINE, AND THEREPEUTIC METHOD OF TREATING CUTANEOUS DISEASE THEREWITH MARUHO CO., LTD. (JP) 2010-07-29 US disclosed
EP-2193798-A1 LIQUID CRYSTAL EMULSION-TYPE PHARMACEUTICAL COMPOSITION CONTAINING CYCLOSPORINE, AND METHOD OF TREATING CUTANEOUS DISEASE THEREWITH Maruho Co., Ltd. (JP) 2010-06-09 EP disclosed
CN-100574769-C Nerve growth factor production inhibitor and skin preparations for extenal use, cosmetics, medicine part outer article, pruritus prevention and the therapeutic agent and the atopic dermatitis therapeutic agent that are combined with this nerve growth factor production inhibitor PIAS ARISE KK 2009-12-30 CN disclosed
CN-101035551-A Nerve growth factor production inhibitor and external preparation for skin, cosmetic, quasi medicine, itch prophylactic and therapeutic agent and atopic dermatitis therapeutic agent mixed with the ner PIAS ARISE KK (JP) 2007-09-12 CN disclosed
US-20060094737-A1 Novel uracil derivatives and medicinal use thereof SUMITOMO PHARMACEUTICALS CO. LTD. (JP) 2006-05-04 US disclosed
EP-1541562-A1 NOVEL URACIL DERIVATIVES AND MEDICINAL USE THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-06-15 EP disclosed
EP-0649902-B1 Method for screening of prophylactic and therapeutic agents for IgE-related diseases RA CHISEI (JP) 2003-01-22 EP disclosed
US-5874404-A Immunoglobulin E receptor α-chain inhibits IgE production and secondary allergic responses Ra, Chisei (JP) 1999-02-23 US disclosed
EP-0649902-A1 Animal model for use in screening of prophylactic and therapeutic agents for IgE-related diseases Ra, Chisei (JP) 1995-04-26 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-20060094737-A1 Novel uracil derivatives and medicinal use thereof HRH3, HRH4, HRH2 GPR35 3129/4885KMT2A 2563/4885HTT 4624/4885

“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.