SCHEMBL7681896

SCHEMBL7681896

CCCCn1c(CC(=O)OCC)cc(CC)c1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 7/20 0.38
NOD1 Q9Y239 7/20 0.38
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SLC6A5 Q9Y345 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 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
SCHEMBL7680907 0.78 ABCB11 (0.52) ALDH1A1MAPTPPARGPOLBNPC1
SCHEMBL11810917 0.78 CNR2 (0.38) CNR2KDM4EMEN1ALDH1A1MAPT
SCHEMBL7682901 0.75 PTGS2 (0.44) KDM4EMEN1ALDH1A1MAPTCYP2C9
SCHEMBL11817601 0.74 CXCL8 (0.52) ALDH1A1MAPTHPGDPPARGPOLB
SCHEMBL11185060 0.71 PTGS2 (0.43) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL7678562 0.71 PTGS2 (0.57) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL11194335 0.70 PTGS2 (0.55) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL10900849 0.69 ALOX5 (0.45) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL11190775 0.69 ALDH1A1 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL11193879 0.68 GRIN1 (0.45) CNR1CNR2KDM4EMEN1ALDH1A1

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 NOD2 4037/4885NOD1 4005/4885RORA 167/4885

“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.