SCHEMBL7678058

SCHEMBL7678058

Cc1ccccc1C(=O)c1c(C)c2c(n1C)CC(=O)O2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
ALDH1A1 P00352 3/20 0.40
PSMD14 O00487 1/20 0.34
ITGB1 P05556 2/20 0.33
ITGA5 P08648 2/20 0.33
MAPT P10636 2/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
XIAP P98170 1/20 0.33
BRPF1 P55201 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8335379 0.87 ABCB11 (0.44) HTTALDH1A1ITGB1ITGA5LMNA
SCHEMBL7682457 0.77 KMT2A (0.34) HTTENPP3ALPLXIAPLMNA
SCHEMBL7680832 0.74 ALDH1A1 (0.40) HTTALDH1A1ITGB1ITGA5MAPT
SCHEMBL7677927 0.74 ALDH1A1 (0.43) HTTALDH1A1PSMD14MAPTENPP3
SCHEMBL7678595 0.73 MAPT (0.41) HTTALDH1A1MAPTLMNAGAA
SCHEMBL7678461 0.72 TSHR (0.47) ALDH1A1MAPTGAACYP3A4CYP2C9
SCHEMBL8050588 0.69 PTGS2 (0.55) ALDH1A1LMNAHPGD
SCHEMBL29387256 0.64 CYP3A4 (0.55) HTTALDH1A1MAPTENPP3ALPL
SCHEMBL333141 0.64 CYP3A4 (0.55) HTTALDH1A1MAPTENPP3ALPL
SCHEMBL8732528 0.63 ALDH1A1 (0.46) HTTALDH1A1ENPP3ALPLXIAP

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 HTT 2603/4885ALDH1A1 208/4885PSMD14 3242/4885

“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.