SCHEMBL7680904

SCHEMBL7680904

CCCn1c(CC(=O)O)ccc1C(=O)c1ccc(C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.70
CXCL8 P10145 1/20 0.70
AKR1B1 P15121 1/20 0.70
PTGS1 P23219 1/20 0.70
GLO1 Q04760 1/20 0.70
HPGD P15428 3/20 0.52
ABCB11 O95342 1/20 0.44
ALDH1A1 P00352 6/20 0.41
LMNA P02545 1/20 0.41
SRD5A2 P31213 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.37
POLB P06746 2/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL7676883 0.88 PTGS2 (0.55) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7678517 0.88 PTGS2 (0.53) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL11325188 0.82 PTGS2 (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL3150 0.82 PTGS2 (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL11486460 0.81 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL29461 0.81 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL28562007 0.81 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL5980424 0.81 PTGS2 (0.97) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7685393 0.81 CXCL8 (0.49) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7678372 0.81 PTGS2 (0.51) 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.