SCHEMBL4893714

SCHEMBL4893714

CCC(CC)SCC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL14539438 0.84 ALDH1A1 (0.50) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL918774 0.82 HDAC3 (0.49) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14394145 0.81 ALDH1A1 (0.55) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11100301 0.76 ALKBH5 (0.58) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1581464 0.75 ALDH1A1 (0.68) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28196055 0.74 ALDH1A1 (0.52) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6320924 0.74 ALDH1A1 (0.61) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL879474 0.74 ALDH1A1 (0.61) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL133738 0.73 ALDH1A1 (0.87) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5031039 0.73 ALDH1A1 (0.65) ALDH1A1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7385087-B2 Method for producing a-(3-arylthio)-acetophenones BASF AKTIENGESELLSCHAFT (DE) 2008-06-10 US claimed
EP-1678127-B1 METHOD FOR THE PRODUCTION OF ALPHA-(3-ARYLTHIO)-ACETOPHENONES BASF AG (DE) 2007-07-25 EP claimed
US-20070060776-A1 Method for the production of alpha-(3-arylthio)-acetophenones BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
EP-1603868-B1 METHOD FOR PRODUCING ALPHA-(3-ARYLTHIO)-ACETOPHENONES BASF AG (DE) 2006-09-13 EP claimed
US-20060178537-A1 Method for producing a-(3-arylthio)-acetophenones BASF AKTIENGESELLSCHAFT (DE) 2006-08-10 US claimed
EP-1678127-A1 METHOD FOR THE PRODUCTION OF ALPHA-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2006-07-12 EP claimed
EP-1603868-A1 METHOD FOR PRODUCING a-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP claimed
WO-2005042477-A1 METHOD FOR THE PRODUCTION OF $G(A)-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO claimed
WO-2004078705-A1 METHOD FOR PRODUCING α-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2004-09-16 WO claimed
US-7385087-B2 Method for producing a-(3-arylthio)-acetophenones BASF AKTIENGESELLSCHAFT (DE) 2008-06-10 US disclosed
US-7385087-B2 Method for producing a-(3-arylthio)-acetophenones BASF AKTIENGESELLSCHAFT (DE) 2008-06-10 US disclosed
US-7385087-B2 Method for producing a-(3-arylthio)-acetophenones BASF AKTIENGESELLSCHAFT (DE) 2008-06-10 US disclosed
CN-100345824-C Preparation method of alpha- (3-arylthio) acetophenone BASF AG (DE) 2007-10-31 CN disclosed
CN-100345824-C Preparation method of alpha- (3-arylthio) acetophenone BASF AG (DE) 2007-10-31 CN disclosed
EP-1603868-A1 METHOD FOR PRODUCING a-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
EP-1603868-A1 METHOD FOR PRODUCING a-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
WO-2005042477-A1 METHOD FOR THE PRODUCTION OF $G(A)-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
WO-2005042477-A1 METHOD FOR THE PRODUCTION OF $G(A)-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
WO-2004078705-A1 METHOD FOR PRODUCING α-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed
WO-2004078705-A1 METHOD FOR PRODUCING α-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2004-09-16 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-20070060776-A1 Method for the production of alpha-(3-arylthio)-acetophenones CBR3, CYB5R3, ME3 ALDH1A1 764/4885HDAC3 86/4885HDAC4 1258/4885
US-20060178537-A1 Method for producing a-(3-arylthio)-acetophenones ARSA, TST, SULT1A1 ALDH1A1 74/4885HDAC3 1439/4885HDAC4 2350/4885

“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.