SCHEMBL7682284

SCHEMBL7682284

Cc1ccccc1C(=O)c1c(C)cc(C(C)C(=O)O)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ENPP3 O14638 1/20 0.38
ALPL P05186 1/20 0.38
XIAP P98170 1/20 0.38
PTGS2 P35354 3/20 0.37
MAPT P10636 2/20 0.37
PTGS1 P23219 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL7684741 0.85 SMN1; SMN2 (0.40) ALDH1A1HTTMAPK13MAPK12MAPK11
SCHEMBL7674668 0.85 PTGS2 (0.49) ALDH1A1HTTPTGS2MAPTPTGS1
SCHEMBL7676680 0.80 SLC6A2 (0.41) ALDH1A1HTTMAPK13MAPK12MAPK11
SCHEMBL7676990 0.78 PTGS2 (0.46) ALDH1A1HTTPTGS2MAPTPTGS1
SCHEMBL7675385 0.76 ALDH1A1 (0.39) ALDH1A1HTTMEN1KMT2A
SCHEMBL7681922 0.76 PTGS2 (0.44) ALDH1A1PTGS2MAPTPTGS1CXCR1
SCHEMBL7674446 0.76 PTGS2 (0.60) ALDH1A1HTTPTGS2MAPTPTGS1
SCHEMBL7678995 0.76 HSD17B10 (0.33) HSD17B10
SCHEMBL7681936 0.76 PTGS2 (0.44) ALDH1A1PTGS2MAPTPTGS1CXCR1
SCHEMBL11089181 0.75 PTGS2 (0.38) ALDH1A1PTGS2MAPTPTGS1CXCR1

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 ALDH1A1 208/4885HTT 2603/4885MAPK13 956/4885

“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.