SCHEMBL7682237

SCHEMBL7682237

Cc1ccc(C(=O)c2c(C)c3c(n2C)C(C)C(=O)O3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
SRD5A2 P31213 1/20 0.36
CXCL8 P10145 1/20 0.35
AKR1B1 P15121 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GLO1 Q04760 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KMT2A Q03164 2/20 0.32
HDAC3 O15379 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
SCHEMBL7675544 0.91 MEN1 (0.36) ALDH1A1LMNAMAPTHPGDHDAC1
SCHEMBL7675834 0.90 ABCB11 (0.41) ALDH1A1LMNASRD5A2PTGS2MAPT
SCHEMBL7682007 0.89 MAPT (0.38) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL7675526 0.73 ABCB11 (0.42) ALDH1A1LMNAPTGS2MAPTHPGD
SCHEMBL7678067 0.73 CXCL8 (0.41) ALDH1A1LMNASRD5A2CXCL8AKR1B1
SCHEMBL7678745 0.73 ALDH1A1 (0.36) ALDH1A1LMNASRD5A2MAPTHPGD
SCHEMBL7677909 0.73 ALDH1A1 (0.35) ALDH1A1LMNAPTGS2MAPTHPGD
SCHEMBL7676957 0.71 BACE1 (0.35) SRD5A2CES2CES1HRH3HTT
SCHEMBL7676777 0.70 HTT (0.42) ALDH1A1LMNAPTGS2MAPTPOLB
SCHEMBL7676758 0.69 NPSR1 (0.40) ALDH1A1LMNACES2CES1HTT

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 208/4885LMNA 2230/4885SRD5A2 223/4885

“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.