SCHEMBL12435912

SCHEMBL12435912

CCC(=O)Nc1cc(C(=O)Sc2cc(OC)c(OC)c(OC)c2)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MAPT P10636 6/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
AHR P35869 1/20 0.43
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.37
BMX P51813 1/20 0.37
DDR1 Q08345 1/20 0.37
MAPK14 Q16539 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 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
SCHEMBL12435927 0.90 LMNA (0.43) HTTMAPTLMNAALDH1A1KMT2A
SCHEMBL12435932 0.89 LMNA (0.45) HTTMAPTLMNAALDH1A1KMT2A
SCHEMBL2364037 0.89 MAPT (0.49) HTTMAPTLMNAALDH1A1KMT2A
SCHEMBL17507545 0.86 ALDH1A1 (0.49) HTTMAPTLMNAALDH1A1KMT2A
SCHEMBL12435921 0.84 LMNA (0.43) HTTMAPTLMNAALDH1A1KMT2A
SCHEMBL12435926 0.84 LMNA (0.41) HTTMAPTLMNAALDH1A1KMT2A
SCHEMBL12435909 0.83 ATM (0.52) HTTMAPTLMNAALDH1A1KMT2A
SCHEMBL12435911 0.82 KDM4E (0.45) HTTMAPTLMNAALDH1A1KMT2A
SCHEMBL12435910 0.82 KMT2A (0.44) HTTMAPTLMNAALDH1A1KMT2A
SCHEMBL17507492 0.79 KMT2A (0.46) HTTMAPTLMNAALDH1A1KMT2A

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 HTT 1248/4885MAPT 3474/4885LMNA 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.