SCHEMBL972629

SCHEMBL972629

NC(=O)Oc1ccc2c(CCO)c(Cc3ccccc3)c(=O)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 7/20 0.57
KMT2A Q03164 4/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 2/20 0.56
MAP2K1 Q02750 3/20 0.54
HPGD P15428 3/20 0.50
STS P08842 1/20 0.50
CYP19A1 P11511 1/20 0.48
ALDH1A2 O94788 1/20 0.48
ALDH1B1 P30837 1/20 0.48
ALDH1A3 P47895 1/20 0.48
ACLY P53396 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
HSD17B3 P37058 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2245213 0.86 MAP2K1 (0.62) ALDH1A1KDM4EKMT2AGAASMN1; SMN2
SCHEMBL972176 0.84 ALDH1A1 (0.78) ALDH1A1KDM4EKMT2AGAASMN1; SMN2
SCHEMBL972170 0.80 MAP2K1 (0.59) ALDH1A1KDM4EKMT2AGAASMN1; SMN2
SCHEMBL971370 0.79 KMT2A (0.50) ALDH1A1KDM4EKMT2AGAASMN1; SMN2
SCHEMBL961424 0.78 MAP2K1 (0.78) ALDH1A1KDM4EKMT2AGAAMAP2K1
SCHEMBL970525 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AGAASMN1; SMN2
SCHEMBL14048939 0.75 MAP2K1 (0.60) ALDH1A1KDM4EKMT2AGAAMAP2K1
SCHEMBL961104 0.74 MAP2K1 (0.79) ALDH1A1KDM4EKMT2AGAAMAP2K1
SCHEMBL2247578 0.72 MAP2K1 (0.81) ALDH1A1KDM4EKMT2AGAASMN1; SMN2
SCHEMBL960864 0.72 MAP2K1 (0.83) MAP2K1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-08 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-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A ALDH1A1 1402/4885KDM4E 4508/4885KMT2A 4821/4885

“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.