SCHEMBL7796496

SCHEMBL7796496

CCOC(=O)C(C)c1cc(CC)c(C(=O)c2ccccc2)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ELANE P08246 1/20 0.40
PTGS2 P35354 6/20 0.40
PTGS1 P23219 4/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.39
PIN1 Q13526 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7680326 0.88 MEN1 (0.44) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL7675553 0.88 PTGS2 (0.47) LMNASMN1; SMN2ELANEPTGS2PTGS1
SCHEMBL7681736 0.79 PTGS2 (0.45) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL7684741 0.77 SMN1; SMN2 (0.40) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL7676839 0.77 ABCB11 (0.43) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL7678100 0.77 ABCB11 (0.58) MEN1KMT2ALMNASMN1; SMN2PTGS2
SCHEMBL7680795 0.77 ABCB11 (0.44) MEN1KMT2ALMNASMN1; SMN2ELANE
SCHEMBL7676984 0.74 ABCB11 (0.41) MEN1KMT2ALMNASMN1; SMN2PTGS2
SCHEMBL7681969 0.74 ABCB11 (0.41) MEN1KMT2ALMNASMN1; SMN2ELANE
SCHEMBL7674668 0.73 PTGS2 (0.49) NPC1LMNASMN1; SMN2ELANEPTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A MEN1 180/4885KMT2A 514/4885NPC1 1644/4885

“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.