SCHEMBL7678290

SCHEMBL7678290

CCCCn1cc(CC)cc1CC(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.38
TNF P01375 8/20 0.38
NR4A1 P22736 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7685494 0.85 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ELMNA
SCHEMBL7675730 0.76 PPARA (0.40) TNFNR4A1SMN1; SMN2PPARGPPARA
SCHEMBL7683714 0.76 KDM4E (0.39) TNFNR4A1SMN1; SMN2CNR1KDM4E
SCHEMBL10817987 0.69 ALDH1A1 (0.39) TNFSMN1; SMN2KDM4ELMNA
SCHEMBL6949726 0.68 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ELMNA
SCHEMBL10812847 0.68 ALDH1A1 (0.38) SMN1; SMN2KDM4ELMNA
SCHEMBL8416334 0.67 CDC25A (0.65) CNR1KDM4ELMNA
SCHEMBL9030971 0.66 BAZ2B (0.43) SMN1; SMN2KDM4ELMNA
SCHEMBL11062777 0.65 CA12 (0.45) SMN1; SMN2KDM4ELMNA
SCHEMBL10299459 0.65 CYP4Z1 (0.57) SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
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
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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 TYR 3582/4885TNF 3983/4885NR4A1 87/4885

“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.