SCHEMBL7675763

SCHEMBL7675763

CCOC(=O)c1c(C(CC)C(=O)O)[nH]c(Cc2ccc(Cl)cc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.51
LMNA P02545 6/20 0.49
MAPT P10636 5/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 2/20 0.49
NPC1 O15118 2/20 0.49
PTGES O14684 1/20 0.48
NPSR1 Q6W5P4 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TNF P01375 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CCR6 P51684 1/20 0.43
RUNX1 Q01196 1/20 0.43
CBFB Q13951 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
NOD2 Q9HC29 1/20 0.43
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL7675758 0.77 ALOX5 (0.55) ALOX5LMNAMAPTRAB9ATP53
SCHEMBL3261384 0.71 LMNA (0.57) ALOX5LMNAMAPTRAB9ATP53
SCHEMBL11811537 0.70 LMNA (0.55) ALOX5LMNAMAPTRAB9ATP53
SCHEMBL3263160 0.68 LMNA (0.53) ALOX5LMNAMAPTRAB9ATP53
SCHEMBL22272868 0.67 LMNA (0.54) ALOX5LMNAMAPTRAB9ATP53
SCHEMBL6976443 0.66 LMNA (0.51) ALOX5LMNAMAPTRAB9ATP53
SCHEMBL4558554 0.65 ALOX5 (1.00) ALOX5PTGES
SCHEMBL11501326 0.63 ALOX5 (0.44) ALOX5LMNAMAPTRAB9ATP53
SCHEMBL16075922 0.63 POLB (0.58) LMNAKMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL7711076 0.63 POLB (0.58) LMNAKMT2ACYP3A4CYP2D6CYP2C9

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 ALOX5 981/4885LMNA 2230/4885MAPT 4570/4885

“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.