SCHEMBL6500555

SCHEMBL6500555

COc1cccc(OC)c1C(=O)OCCC1SC(NC2CC3C=CC2C3)=NC1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
GAA P10253 1/20 0.30
ELANE P08246 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 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
SCHEMBL6503577 0.88 ALDH1A1 (0.34) L3MBTL1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6504082 0.86 MEN1 (0.39) MEN1KMT2AALDH1A1POLB
SCHEMBL6501686 0.85 NPSR1 (0.39) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL6503540 0.85 MEN1 (0.39) L3MBTL1MEN1KMT2APOLBMAPT
SCHEMBL6510626 0.84 TDP1 (0.34) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL6429803 0.84 RAB9A (0.38) ALDH1A1POLBMAPTSMN1; SMN2GAA
SCHEMBL6501528 0.83 L3MBTL1 (0.36) L3MBTL1MAPTNPSR1ELANEKDM4E
SCHEMBL6506231 0.83 KMT2A (0.37) KMT2AALDH1A1POLBMAPTGAA
SCHEMBL6505095 0.82 KDM4E (0.32) L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL6499622 0.81 HPGD (0.35) L3MBTL1MEN1KMT2AALDH1A1MAPT

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 L3MBTL1 4470/4885MEN1 979/4885KMT2A 3213/4885

“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.