Acetophenone

Acetophenone

SCHEMBL1481981

CC(=O)c1ccccc1.O=C(O)c1ccc(-c2ccccc2)cc1Br

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ACMSD Q8TDX5 3/20 0.51
HNF4A P41235 2/20 0.51
AKR1C4 P17516 2/20 0.51
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
AKR1C1 Q04828 2/20 0.51
ACLY P53396 3/20 0.51
DHFR P00374 1/20 0.47
MCL1 Q07820 1/20 0.47
DCLRE1A Q6PJP8 1/20 0.46
DCLRE1B Q9H816 1/20 0.46
KMO O15229 1/20 0.46
HDAC2 Q92769 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
CDC25B P30305 1/20 0.44

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
SCHEMBL27918808 0.88 ACMSD (0.63) ACMSDHNF4AAKR1C4AKR1C3AKR1C2
SCHEMBL1483201 0.85 MAPT (0.52) MAPTSMN1; SMN2ACMSDHNF4AAKR1C4
SCHEMBL8376377 0.81 ACMSD (0.50) ACMSDHNF4AAKR1C4AKR1C3AKR1C2
SCHEMBL840276 0.78 AKR1C3 (0.51) SMN1; SMN2AKR1C4AKR1C3AKR1C2AKR1C1
Acetophenone SCHEMBL27985201 0.77 MAPT (0.86) MAPTSMN1; SMN2HDAC2LMNA
Biphenyl SCHEMBL1555184 0.77 MAPT (0.86) MAPTSMN1; SMN2KMOHDAC2LMNA
SCHEMBL7673881 0.76 ACMSD (0.61) MAPTSMN1; SMN2ACMSDHNF4AAKR1C2
SCHEMBL8103552 0.76 HPGD (0.51) MAPTSMN1; SMN2AKR1C3AKR1C2HDAC2
SCHEMBL8368648 0.76 MAPT (0.83) MAPTSMN1; SMN2ACMSDKMOHDAC2
Acetophenone SCHEMBL28342406 0.75 MAPT (0.75) MAPTSMN1; SMN2KMOHDAC2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
CN-1747936-A Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA INC (US) 2006-03-15 CN disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ MAPT 3558/4885SMN1; SMN2 4575/4885ACMSD 3841/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ MAPT 3558/4885SMN1; SMN2 4575/4885ACMSD 3841/4885

“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.