SCHEMBL6023779

SCHEMBL6023779

CCOC(=O)CC(=O)NCCc1ccc(OC)c(OC(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
MDM2 Q00987 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
SCHEMBL6023518 0.96 KMT2A (0.55) KMT2AMEN1CA12CA1CA2
SCHEMBL6484083 0.90 KMT2A (0.62) KMT2AMEN1CA12CA1CA2
SCHEMBL6478319 0.86 KMT2A (0.62) KMT2AGAA
SCHEMBL6475948 0.84 KMT2A (0.62) KMT2AALDH1A1GAA
SCHEMBL6023639 0.84
SCHEMBL6023129 0.83 BCHE (0.54) KMT2AMEN1CA12CA1CA2
SCHEMBL3370380 0.82 KMT2A (0.54) KMT2AMEN1CA12CA1CA2
SCHEMBL6023108 0.81 CA1 (0.54) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL6022541 0.81 CA1 (0.57) KMT2AMEN1CA1CA2GAA
SCHEMBL6476553 0.81 KMT2A (0.55) KMT2AMEN1ALDH1A1

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-20060148838-A1 Novel pyrrolodihydroisoquinolines useful in the treatment of cancer ALTANA PHARMA AG (DE) 2006-07-06 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-20060148838-A1 Novel pyrrolodihydroisoquinolines useful in the treatment of cancer MKI67, BAD, CCAR2 KMT2A 1763/4885MEN1 3890/4885CA12 4818/4885

“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.