SCHEMBL5065712

SCHEMBL5065712

COc1cccc(CC(O)CCNC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MTNR1A P48039 5/20 0.50
MTNR1B P49286 5/20 0.50
CASR P41180 1/20 0.50
TAAR1 Q96RJ0 2/20 0.49
MMP13 P45452 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
BCHE P06276 1/20 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
SCHEMBL13997823 0.84 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL3348575 0.82 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL2205978 0.80 MTNR1A (0.65) ALDH1A1HTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL3507239 0.80 LAP3 (0.49)
SCHEMBL28034591 0.79 TAAR1 (0.55) TAAR1MEN1KMT2ABCHE
SCHEMBL13849891 0.79 TAAR1 (0.58) TAAR1
SCHEMBL13849941 0.79 TAAR1 (0.58) TAAR1
SCHEMBL14402407 0.79 TAAR1 (0.58) TAAR1
SCHEMBL5069135 0.78 MTNR1A (0.62) ALDH1A1HTTMTNR1AMTNR1BCASR
SCHEMBL13725463 0.78 MTNR1A (0.79) ALDH1A1HTTSMN1; SMN2MTNR1AMTNR1B

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ALDH1A1 4166/4885HTT 2591/4885SMN1; SMN2 3299/4885

“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.