SCHEMBL12435966

SCHEMBL12435966

CCC(=O)Nc1cc(OC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.46
MAPK1 P28482 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 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
SCHEMBL12435910 0.89 KMT2A (0.44) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL17507489 0.89 MAPT (0.54) MAPTALDH1A1CYP2C9KMT2AMEN1
SCHEMBL12435963 0.81 MAPT (0.58) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL12435936 0.79 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL12435918 0.79 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL12435939 0.79 KMT2A (0.43) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL12435909 0.79 ATM (0.52) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL12435911 0.78 KDM4E (0.45) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL12435912 0.78 HTT (0.44) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL12435914 0.77 KMT2A (0.46) MAPTALDH1A1KMT2AMEN1POLB

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-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 MAPT 3474/4885ALDH1A1 2851/4885CYP2C9 2412/4885

“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.