SCHEMBL12435925

SCHEMBL12435925

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HTT P42858 5/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.38
PDK1 Q15118 1/20 0.38
MEN1 O00255 2/20 0.37
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL12435931 0.90 KDM4E (0.40) KDM4EHTTLMNAMAPTALDH1A1
SCHEMBL17507479 0.89 LMNA (0.47) KDM4EHTTLMNAMAPTKMT2A
SCHEMBL12435917 0.86 MAPT (0.44) KDM4EHTTLMNAMAPTALDH1A1
SCHEMBL12435929 0.85 KDM4E (0.44) KDM4EHTTLMNAMAPTALDH1A1
SCHEMBL12435920 0.84 ATM (0.49) HTTLMNAMAPTALDH1A1MAPK1
SCHEMBL12435911 0.84 KDM4E (0.45) KDM4EHTTLMNAMAPTALDH1A1
SCHEMBL12435921 0.83 LMNA (0.43) KDM4EHTTLMNAMAPTALDH1A1
SCHEMBL12435933 0.83 KDM4E (0.44) KDM4EHTTLMNAMAPTALDH1A1
SCHEMBL17507531 0.78 LMNA (0.47) KDM4EHTTLMNAMAPTKMT2A
SCHEMBL12435907 0.76 TUBB4A (0.49) KDM4EHTTLMNAMAPTALDH1A1

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 368/4885HTT 1248/4885LMNA 2812/4885

“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.