SCHEMBL12435940

SCHEMBL12435940

COc1cc(OC(=O)c2ccc(CO)c(NC(=O)C(C)Br)c2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.37
MMP2 P08253 1/20 0.36
ADAM17 P78536 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36

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
SCHEMBL12435928 0.90 KMT2A (0.42) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL12435914 0.86 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12435936 0.85 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12435930 0.84 ATM (0.49) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL12435910 0.84 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12435918 0.83 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12435939 0.83 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12436026 0.82 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12436025 0.80 SMN1; SMN2 (0.46) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL12435904 0.76 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTPOLB

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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 KMT2A 964/4885MEN1 4747/4885ALDH1A1 2851/4885

“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.