SCHEMBL21361976

SCHEMBL21361976

Cn1cc(C(C)(C)C)c(C(C)(C)C)cc1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.37
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
GLRA3 O75311 1/20 0.30
GLRB P48167 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SCN9A Q15858 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL24018688 0.87 HDAC6 (0.33) ATAD2ALDH1A1KDM4E
SCHEMBL17589209 0.85 BRD4 (0.35) ATAD2ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL26014376 0.78 KDM4E (0.38) ATAD2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL20802418 0.71 ALKBH5 (0.38) ATAD2BAZ2BBAZ2A
SCHEMBL13481160 0.70 ATAD2 (0.39) ATAD2KDM4EBAZ2BBAZ2APOLB
SCHEMBL14506376 0.70 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL21955313 0.70 BRD4 (0.34) ATAD2BAZ2BBAZ2ABRD4
SCHEMBL19869613 0.68 BRD4 (0.33) BRD4
SCHEMBL12766925 0.68 LMNA (0.40) ALDH1A1SMN1; SMN2POLB
SCHEMBL13688726 0.67 GABBR2 (0.32) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT

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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 ATAD2 944/4885ALDH1A1 4457/4885SMN1; SMN2 4369/4885

“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.