SCHEMBL17469331

SCHEMBL17469331

O=C1C2C3C=CC(O3)C2C(=O)N1C1CCCCCCCCCCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.65
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 2/20 0.50
ATM Q13315 1/20 0.43
THRB P10828 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
ADCY2 Q08462 2/20 0.40
ADRA2A P08913 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
CYP19A1 P11511 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL828074 1.00 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL17532437 0.85 ATM (0.46) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL31372407 0.76 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL521622 0.76 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL31372514 0.76 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL20464796 0.76 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL2756761 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL15085995 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL13135498 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL10014722 0.71 KMT2A (0.61) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19

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-20160022833-A1 SOLID PHASE TGASE-MEDIATED CONJUGATION OF ANTIBODIES ARARIS BIOTECH LTD (CH) 2016-01-28 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-20160022833-A1 SOLID PHASE TGASE-MEDIATED CONJUGATION OF ANTIBODIES TGM2, TGM3, TGM6 ALDH1A1 1768/4885SMN1; SMN2 2458/4885CYP3A4 202/4885

“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.