SCHEMBL7676777

SCHEMBL7676777

CCCCCCC1C(=O)Oc2c(C)c(C(=O)c3ccc(Cl)cc3)n(C)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
ABCB11 O95342 1/20 0.37
PTGS2 P35354 1/20 0.37
OXER1 Q8TDS5 1/20 0.36
GRM2 Q14416 2/20 0.36
CYP1A2 P05177 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 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
SCHEMBL7675526 0.92 ABCB11 (0.42) HTTKDM4EALDH1A1POLBABCB11
SCHEMBL7676758 0.90 NPSR1 (0.40) HTTKDM4EALDH1A1CYP1A2LMNA
SCHEMBL7674713 0.87 GRM2 (0.39) HTTKDM4EALDH1A1POLBGRM2
SCHEMBL7677090 0.87 NOD2 (0.34) TDP1
SCHEMBL7678442 0.86 MAPT (0.39) KDM4EALDH1A1POLBLMNASMN1; SMN2
SCHEMBL7678168 0.84 PDE4B (0.39) ALDH1A1CYP1A2TSHRCYP2C9CYP2C19
SCHEMBL7677005 0.82 CHRM1 (0.36) HTTKDM4EALDH1A1GRM2LMNA
SCHEMBL7675834 0.80 ABCB11 (0.41) HTTKDM4EALDH1A1ABCB11PTGS2
SCHEMBL7676957 0.78 BACE1 (0.35) HTT
SCHEMBL7677230 0.77 SIRT2 (0.36)

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 2603/4885KDM4E 1130/4885ALDH1A1 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.