SCHEMBL23964494

SCHEMBL23964494

COc1nc(OC)nc(OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ATM Q13315 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
CYP1A2 P05177 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL3820019 0.88 GAA (0.48) GAAATMNPSR1MEN1KMT2A
SCHEMBL33145 0.78 ALDH1A1 (0.43) ATMNPSR1MEN1KMT2AALDH1A1
SCHEMBL17187697 0.76 GAA (0.41) GAA
SCHEMBL14298979 0.75 L3MBTL1 (0.48) GAAATMNPSR1MEN1KMT2A
SCHEMBL11929988 0.72 HRH4 (0.34) ATMMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17598913 0.70 GAA (0.41) GAA
SCHEMBL6026795 0.70 GAA (0.41) GAAKDM4EMAPTLMNAL3MBTL1
SCHEMBL10665040 0.70 ALDH1A1 (0.42) GAAALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL10637349 0.69 ALDH1A1 (0.50) ATMMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1131131 0.67 GAA (0.47) GAAATMMEN1KMT2AALDH1A1

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-20210338834-A1 DEGRADABLE HYALURONIC ACID HYDROGELS ASCENDIS PHARMA A/S (DK) 2021-11-04 US disclosed
US-20210330798-A1 TREATMENT OF INFECTIONS ASCENDIS PHARMA A/S (DK) 2021-10-28 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 (2 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-20210338834-A1 DEGRADABLE HYALURONIC ACID HYDROGELS CD44, HPSE, MMP13 GAA 293/4885ATM 3040/4885NPSR1 460/4885
US-20210330798-A1 TREATMENT OF INFECTIONS H1-10, PM20D2, ELANE GAA 854/4885ATM 4381/4885NPSR1 2529/4885

“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.