SCHEMBL972746

SCHEMBL972746

COc1cc2c(C)c(Cc3ccccc3)c(=O)oc2cc1OC(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.60
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 8/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 3/20 0.56
GLA P06280 1/20 0.56
HSD17B3 P37058 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ERAP1 Q9NZ08 1/20 0.56
HPGD P15428 4/20 0.54
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
STS P08842 1/20 0.52
RAF1 P04049 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A2 O94788 1/20 0.50
ALDH1B1 P30837 1/20 0.50
ALDH1A3 P47895 1/20 0.50

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
SCHEMBL2252664 0.88 MAP2K1 (0.78) MAP2K1RAF1
SCHEMBL972168 0.87 MAP2K1 (0.78) MAP2K1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL970908 0.85 MAP2K1 (0.59) MAP2K1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL972176 0.81 ALDH1A1 (0.78) MAP2K1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL971877 0.77 MAP2K1 (0.63) MAP2K1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL7797770 0.75 KDM4E (0.74) MAP2K1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL960175 0.75 MAP2K1 (1.00) MAP2K1RAF1
SCHEMBL15917454 0.75 ALDH1A1 (0.74) MAP2K1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL972891 0.74 KDM4E (0.58) MAP2K1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL972893 0.74 KDM4E (0.55) MAP2K1ALDH1A1KDM4ESMN1; SMN2KMT2A

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 MAP2K1 3808/4885ALDH1A1 1402/4885KDM4E 4508/4885

“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.