SCHEMBL7685494

SCHEMBL7685494

CCOC(=O)Cc1cc(CC)cn1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
LPO P22079 2/20 0.36
LMNA P02545 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
RECQL P46063 1/20 0.35
CYP4Z1 Q86W10 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
MGAM O43451 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
SCHEMBL7678290 0.85 TYR (0.38) SMN1; SMN2KDM4ELMNA
SCHEMBL6900776 0.73
SCHEMBL9031656 0.71 MAPT (0.46) SMN1; SMN2ALDH1A1LPORECQLMAPT
SCHEMBL7682106 0.70 CA12 (0.39) SMN1; SMN2KDM4ECA12CA1CA2
SCHEMBL6949726 0.69 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1HTTCYP1A2
SCHEMBL7675730 0.69 PPARA (0.40) SMN1; SMN2ALDH1A1HTT
SCHEMBL10299459 0.69 CYP4Z1 (0.57) SMN1; SMN2KDM4EALDH1A1LMNACYP4Z1
SCHEMBL11388982 0.68 HSP90AB1 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1MAPT
SCHEMBL10817987 0.67 ALDH1A1 (0.39) SMN1; SMN2KDM4EALDH1A1LMNAGSK3A
SCHEMBL1515865 0.67 L3MBTL1 (0.49) SMN1; SMN2CA12CA1CA2CA9

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 6 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-4255335-A Preparation of 5-aroyl-1-loweralkylpyrrole-2-acetic acid derivatives MCNEILAB, INC. (US) 1981-03-10 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 SMN1; SMN2 2392/4885KDM4E 1130/4885CA12 2467/4885

“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.