SCHEMBL7940474

SCHEMBL7940474

CC(=O)CCC(C(=O)O)C(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 1/20 0.43
SLC6A3 Q01959 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
LMNA P02545 4/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SRD5A2 P31213 2/20 0.40
MAPT P10636 1/20 0.40
CHRM2 P08172 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD3 P35462 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL7929013 0.86 MDM2 (0.52) KMT2AALDH1A1GSK3BSLC6A3SLC6A2
SCHEMBL7634475 0.84 KMT2A (0.49) KMT2AALDH1A1SMN1; SMN2GSK3BSLC6A3
SCHEMBL9353004 0.82 SLC6A3 (0.54) KMT2AALDH1A1SMN1; SMN2GSK3BSLC6A3
SCHEMBL9356303 0.79 SLC6A3 (0.48) KMT2AALDH1A1SMN1; SMN2GSK3BSLC6A3
SCHEMBL2289091 0.78 ALDH1A1 (0.50) KMT2AALDH1A1SMN1; SMN2GSK3BSLC6A3
SCHEMBL9352239 0.78 L3MBTL1 (0.47) KMT2AALDH1A1SMN1; SMN2GSK3BSLC6A3
SCHEMBL9352257 0.77 L3MBTL1 (0.50) KMT2AALDH1A1SMN1; SMN2GSK3BSLC6A3
SCHEMBL9352280 0.77 L3MBTL1 (0.50) KMT2AALDH1A1SMN1; SMN2GSK3BSLC6A3
SCHEMBL9352667 0.77 L3MBTL1 (0.50) KMT2AALDH1A1SMN1; SMN2GSK3BSLC6A3
SCHEMBL9352846 0.77 L3MBTL1 (0.50) KMT2AALDH1A1SMN1; SMN2GSK3BSLC6A3

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-20010020112-A1 Process for preparing (hetero) aromatic substituted benzene derivatives TOYA TETSUYA (JP) 2001-09-06 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-20010020112-A1 Process for preparing (hetero) aromatic substituted benzene derivatives AHR, CYP3A4, CYP4B1 KMT2A 2559/4885ALDH1A1 1596/4885SMN1; SMN2 4141/4885

“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.