SCHEMBL7682148

SCHEMBL7682148

CCn1c(C(=O)c2ccccc2)cc2c1CC(=O)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GLA P06280 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 1/20 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
SCHEMBL7678501 0.86 TSHR (0.39) MAOAMAOBALDH1A1CYP2C19KMT2A
SCHEMBL7675486 0.80 MAPT (0.45) ALDH1A1FNTAFNTBPOLBKMT2A
SCHEMBL7681025 0.79 ALDH1A1 (0.41) ALDH1A1FNTAFNTBCYP2C19KMT2A
SCHEMBL7675515 0.73 ALDH1A1 (0.35) ALDH1A1NPSR1GLAFNTAFNTB
SCHEMBL7675598 0.71 CXCL8 (0.41) MAOAMAOBALDH1A1CYP1A2POLB
SCHEMBL7680870 0.71 MAPT (0.43) POLBKMT2AMEN1LMNAMAPT
SCHEMBL7683734 0.71 HPGD (0.44) ALDH1A1NPSR1GLAKMT2ALMNA
SCHEMBL7676981 0.70 CA12 (0.34) ALDH1A1GLAPOLBKMT2AMEN1
SCHEMBL7681406 0.70 NPC1 (0.39) MAOBALDH1A1NPSR1THRBLMNA
SCHEMBL7675488 0.70 MAOA (0.46) MAOAMAOBALDH1A1NPSR1LMNA

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 MAOA 3084/4885MAOB 2812/4885ALDH1A1 208/4885

“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.