SCHEMBL7676680

SCHEMBL7676680

CCCC(C(=O)O)c1cc(C)c(C(=O)c2ccccc2C)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
KMT2A Q03164 3/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
ENPP3 O14638 1/20 0.35
ALPL P05186 1/20 0.35
XIAP P98170 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 2/20 0.33

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
SCHEMBL7675385 0.91 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL7675547 0.87 PTGS2 (0.42) SLC6A2SLC6A3ALDH1A1SMN1; SMN2CNR2
SCHEMBL7682284 0.80 ALDH1A1 (0.44) ALDH1A1HTTMAPK13MAPK12MAPK11
SCHEMBL7680774 0.79 ABCB11 (0.57) ALDH1A1HTTSMN1; SMN2TSHRPPARG
SCHEMBL7684717 0.79
SCHEMBL7680837 0.78 CNR2 (0.40) ALDH1A1HTTKMT2ACNR2ABCB11
SCHEMBL7684741 0.78 SMN1; SMN2 (0.40) ALDH1A1HTTMAPK13MAPK12MAPK11
SCHEMBL7674936 0.76 SLC6A3 (0.43) SLC6A3ALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL7680454 0.76 SLC6A4 (0.42) SLC6A4ALDH1A1SMN1; SMN2TSHRPPARG
SCHEMBL7680758 0.75 MAPT (0.45) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2

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 SLC6A2 4555/4885SLC6A4 4341/4885SLC6A3 4426/4885

“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.