SCHEMBL6761073

SCHEMBL6761073

COC(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)C(=Cc1ccccc1)C(=O)NCc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43

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
SCHEMBL6761071 1.00 LMNA (0.48) LMNAPOLBALDH1A1KDM4EHPGD
SCHEMBL7381723 0.83 ALDH1A1 (0.55) LMNAPOLBALDH1A1KDM4EHPGD
SCHEMBL7465058 0.83 PDE4A (0.48)
SCHEMBL7465061 0.83 PDE4A (0.48)
Hydrochloric Acid SCHEMBL7459498 0.82 PDE4A (0.47)
Hydrochloric Acid SCHEMBL7378460 0.82 PDE4A (0.47)
SCHEMBL7438218 0.80 MAPT (0.55) LMNAPOLBALDH1A1KDM4EHPGD
SCHEMBL7438208 0.80 MAPT (0.55) LMNAPOLBALDH1A1KDM4EHPGD
SCHEMBL7438224 0.80 MAPT (0.55) LMNAPOLBALDH1A1KDM4EHPGD
SCHEMBL7431914 0.80 MAPT (0.51) LMNAPOLBALDH1A1KDM4EHPGD

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-20040180938-A1 Novel butadiene derivatives, process for preparation of the same and intermediates for the synthesis thereof TANABE SEIYAKU CO., LTD. (JP) 2004-09-16 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-20040180938-A1 Novel butadiene derivatives, process for preparation of the same and intermediates for the synthesis thereof SERPINE1, SERPINC1, SERPINB1 LMNA 1161/4885POLB 2296/4885ALDH1A1 104/4885

“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.