SCHEMBL7678372

SCHEMBL7678372

CCCCn1c(CC(=O)O)ccc1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
CXCL8 P10145 1/20 0.51
AKR1B1 P15121 1/20 0.51
PTGS1 P23219 1/20 0.51
GLO1 Q04760 1/20 0.51
ALDH1A1 P00352 6/20 0.46
CNR2 P34972 5/20 0.44
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL7680808 0.96 CXCL8 (0.50) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7677999 0.85 PTGS2 (0.52) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7680904 0.81 PTGS2 (0.70) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7676883 0.80 PTGS2 (0.55) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7678517 0.80 PTGS2 (0.53) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL2237360 0.79 PTGS2 (0.77) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7675533 0.78 AKR1B1 (0.48) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8726561 0.77 PTGS2 (0.78) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7674888 0.76 SMN1; SMN2 (0.47) PTGS2ALDH1A1CNR2KDM4ECYP1A2
SCHEMBL11812606 0.76 SIGMAR1 (0.38) PTGS2CXCL8AKR1B1PTGS1GLO1

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 PTGS2 887/4885CXCL8 3828/4885AKR1B1 346/4885

“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.