SCHEMBL12435933

SCHEMBL12435933

COc1cc(CC(=O)c2ccc(CO)c(NC(=O)CF)c2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LMNA P02545 8/20 0.42
HTT P42858 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
MAPK10 P53779 1/20 0.40
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL12435911 0.90 KDM4E (0.45) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL12435929 0.89 KDM4E (0.44) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL12435917 0.88 MAPT (0.44) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL12435931 0.85 KDM4E (0.40) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL12435922 0.83 ATM (0.51) LMNAHTTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL12435925 0.83 KDM4E (0.40) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL12435918 0.83 KMT2A (0.43) LMNAALDH1A1MAPK1MEN1KMT2A
SCHEMBL12435927 0.83 LMNA (0.43) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL17507493 0.78 HTT (0.51) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL12435959 0.78 ATM (0.47) LMNASMN1; SMN2ALDH1A1MAPK1MEN1

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 KDM4E 368/4885LMNA 2812/4885HTT 1248/4885

“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.