SCHEMBL7682135

SCHEMBL7682135

COc1cc(C(=O)c2ccc(CC(=O)O)n2C)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.59
AKR1B1 P15121 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
GLO1 Q04760 1/20 0.59
TUBB4A P04350 7/20 0.47
TUBB P07437 7/20 0.47
TUBA3C P0DPH7 7/20 0.47
TUBA1B P68363 7/20 0.47
TUBA4A P68366 7/20 0.47
TUBB4B P68371 7/20 0.47
TUBB3 Q13509 7/20 0.47
TUBB2A Q13885 7/20 0.47
TUBB8 Q3ZCM7 7/20 0.47
TUBA3E Q6PEY2 7/20 0.47
TUBA1A Q71U36 7/20 0.47
TUBA1C Q9BQE3 7/20 0.47
TUBB6 Q9BUF5 7/20 0.47
TUBB2B Q9BVA1 7/20 0.47
TUBB1 Q9H4B7 7/20 0.47

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
SCHEMBL7680891 0.88 TUBB4A (0.46) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7685205 0.87 CXCL8 (0.63) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678041 0.80 CXCL8 (0.72) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL11812553 0.78 KDM4E (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8732112 0.78 SMPD1 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL11808828 0.77 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2237360 0.77 PTGS2 (0.77) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL11486705 0.77 NPC1 (0.51) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8732029 0.76 PTGS1 (0.67) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8726489 0.76 PTGS2 (0.62) 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 4 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

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.