SCHEMBL7678196

SCHEMBL7678196

CCCn1c(C(=O)c2ccc(C)cc2)ccc1C(CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.46
AKR1B1 P15121 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
GLO1 Q04760 1/20 0.46
HPGD P15428 2/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
SRD5A2 P31213 2/20 0.38
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
AKR1C3 P42330 2/20 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
SCHEMBL7681166 0.85 CXCL8 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL28569713 0.77 CXCL8 (0.53) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7680904 0.76 PTGS2 (0.70) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7676873 0.73 HTT (0.44) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678514 0.73 CXCL8 (0.42) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7676903 0.73 ALDH1A1 (0.41) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7685393 0.71 CXCL8 (0.49) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL510548 0.69 ALDH1A1 (0.56) PTGS1PTGS2ALDH1A1LMNAPOLB
SCHEMBL7705115 0.69 ALDH1A1 (0.56) PTGS1PTGS2ALDH1A1LMNAPOLB
SCHEMBL15641391 0.69 PTGS1 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1

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 CXCL8 3828/4885AKR1B1 346/4885PTGS1 442/4885

“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.