SCHEMBL22420541

SCHEMBL22420541

COc1ccc(C2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)O)cc1OC

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
GAA P10253 1/20 0.62
POLB P06746 3/20 0.61
MAOB P27338 2/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 1/20 0.61
MAOA P21397 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL3318235 0.94 KDM4E (0.71) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL22420546 0.92 MAOB (0.72) KDM4EALDH1A1POLBMAOBKMT2A
SCHEMBL3319335 0.88 KDM4E (0.70) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL3314287 0.87 KDM4E (0.74) KDM4EALDH1A1POLBMAOBKMT2A
SCHEMBL3314542 0.86 KDM4E (0.71) KDM4EALDH1A1POLBKMT2A
SCHEMBL3314425 0.86 KDM4E (0.70) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL3310748 0.86 KDM4E (0.70) KDM4EALDH1A1POLBKMT2A
SCHEMBL10074852 0.85 POLB (0.68) KDM4EALDH1A1POLBMAOBKMT2A
SCHEMBL31574569 0.85 POLB (0.68) KDM4EALDH1A1POLBMAOBKMT2A
SCHEMBL3314726 0.85 KDM4E (0.69) KDM4EALDH1A1POLBMAOBKMT2A

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-10774063-B2 Materials and method for inhibiting replication protein A and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2020-09-15 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-10774063-B2 Materials and method for inhibiting replication protein A and uses thereof RPA1, RPA3, PCNA KDM4E 3143/4885ALDH1A1 4315/4885GAA 2492/4885

“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.