SCHEMBL7680837

SCHEMBL7680837

CCCCCCC(C(=O)O)c1cc(C)c(C(=O)c2ccccc2)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
ABCB11 O95342 1/20 0.39
PTGS2 P35354 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
NAAA Q02083 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL7674913 0.90 ABCB11 (0.53) ABCB11PTGS2KDM4ELMNAHTT
SCHEMBL7675385 0.88 ALDH1A1 (0.39) CNR2NPSR1MEN1KMT2AHTT
SCHEMBL7681159 0.87 MLYCD (0.38) CNR2ABCB11PTGS2CYP1A2CYP2C9
SCHEMBL7678696 0.87 ABCB11 (0.38) ABCB11PTGS2LMNACTSGCMA1
SCHEMBL7678361 0.86 ALDH1A1 (0.42) ABCB11PTGS2KDM4EALDH1A1
SCHEMBL7680560 0.84 CYP1A2 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7674489 0.78 LCK (0.32) LMNA
SCHEMBL7680758 0.76 MAPT (0.45) ABCB11PTGS2KDM4ELMNAALDH1A1
SCHEMBL7674668 0.75 PTGS2 (0.49) ABCB11PTGS2NPSR1KCNH2KDM4E
SCHEMBL1122202 0.75 MCL1 (0.46) CNR2

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 CNR2 4197/4885ABCB11 2317/4885PTGS2 887/4885

“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.