SCHEMBL7681736

SCHEMBL7681736

CCOC(=O)C(C)c1cc(C)c(C(=O)c2ccc(C)cc2)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
ABCB11 O95342 1/20 0.45
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CXCL8 P10145 1/20 0.40
AKR1B1 P15121 1/20 0.40
PTGS1 P23219 1/20 0.40
GLO1 Q04760 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SRD5A2 P31213 2/20 0.38
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 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
SCHEMBL7680326 0.91 MEN1 (0.44) PTGS2ABCB11ALDH1A1HPGDLMNA
SCHEMBL7678100 0.90 ABCB11 (0.58) PTGS2ABCB11ALDH1A1HPGDLMNA
SCHEMBL7676839 0.90 ABCB11 (0.43) PTGS2ABCB11ALDH1A1HPGDLMNA
SCHEMBL7676984 0.87 ABCB11 (0.41) PTGS2ABCB11ALDH1A1LMNASMN1; SMN2
SCHEMBL7681969 0.87 ABCB11 (0.41) PTGS2ABCB11ALDH1A1LMNASMN1; SMN2
SCHEMBL7676990 0.86 PTGS2 (0.46) PTGS2ABCB11ALDH1A1HPGDLMNA
SCHEMBL7676850 0.84 CYP2C19 (0.48) ALDH1A1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL7684741 0.82 SMN1; SMN2 (0.40) PTGS2ABCB11ALDH1A1RAB9AHPGD
SCHEMBL7680795 0.82 ABCB11 (0.44) PTGS2ABCB11ALDH1A1RAB9AHPGD
SCHEMBL7796496 0.79 MEN1 (0.43) PTGS2ALDH1A1HPGDLMNASMN1; 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 PTGS2 887/4885ABCB11 2317/4885ALDH1A1 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.