SCHEMBL7675730

SCHEMBL7675730

CCCCc1cc(CC(=O)OCC)n(C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR4A1 P22736 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TNF P01375 1/20 0.35
AKT1 P31749 1/20 0.35
IRS1 P35568 1/20 0.35
GAB1 Q13480 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL6949726 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HTT
SCHEMBL9030971 0.76 BAZ2B (0.43) HPGDALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL26239658 0.73 ALDH1A1 (0.62) PPARAPPARGHPGDALDH1A1HSD17B10
SCHEMBL11878553 0.71 SMN1; SMN2 (0.46) PPARGHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL15723417 0.70 ALDH1A1 (0.57) HPGDALDH1A1HSD17B10AKT1IRS1
SCHEMBL30003253 0.69 NR4A1 (0.45) PPARAPPARGHPGDNR4A1GPR84
SCHEMBL7685494 0.69 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HTT
SCHEMBL7677963 0.69 LMNA (0.38) ALDH1A1NR4A1SMN1; SMN2HTTCYP4F2
SCHEMBL9523313 0.68 ALDH1A1 (0.62) PPARAPPARGHPGDALDH1A1HSD17B10
SCHEMBL7243687 0.68 ALDH1A1 (0.62) PPARAPPARGHPGDALDH1A1HSD17B10

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 PPARA 1357/4885PPARG 1481/4885HPGD 363/4885

“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.