SCHEMBL6320924

SCHEMBL6320924

CSCC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
SMN1; SMN2 Q16637 5/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
HPGD P15428 4/20 0.56
MAPK1 P28482 3/20 0.56
MAPT P10636 3/20 0.56
CYP3A4 P08684 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALOX15 P16050 1/20 0.56
CES1 P23141 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55

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
SCHEMBL879474 1.00 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL10418116 0.88 MAPT (0.63) ALDH1A1SMN1; SMN2HPGDMAPK1MAPT
SCHEMBL5311205 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL5031039 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL133738 0.81 ALDH1A1 (0.87) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL21226237 0.80 MAPT (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL10418143 0.80 HDAC3 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL6683314 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL2220646 0.78 HDAC3 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL21133123 0.78 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215787-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PURINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-09-29 US 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-20050215787-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PURINES PNP, HPRT1, NUDT1 ALDH1A1 312/4885SMN1; SMN2 3101/4885KMT2A 2307/4885

“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.