SCHEMBL2622282

SCHEMBL2622282

CCc1c(OC)c(OC)cc2c(OC)c(-c3c(C)cc4c(CC)c(OC)c(OC)cc4c3OC)c(C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.43
PDE3A Q14432 5/20 0.43
PTGS2 P35354 1/20 0.43
AKR1B1 P15121 2/20 0.40
ACHE P22303 1/20 0.38
ALOX5 P09917 3/20 0.38
CYP19A1 P11511 2/20 0.37
NQO2 P16083 2/20 0.37
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35
PDE1C Q14123 2/20 0.35
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TUBB1 Q9H4B7 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34

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
SCHEMBL13917720 0.90 AKR1B1 (0.45) PDE3BPDE3APTGS2AKR1B1ALOX5
SCHEMBL353866 0.83 AKR1B1 (0.40) PDE3BPDE3AAKR1B1ACHEALOX5
SCHEMBL353668 0.80 PDE4D (0.42) AKR1B1ACHEALOX5CYP19A1NQO2
SCHEMBL1889772 0.78 TUBB4A (0.43) ACHECYP19A1TUBB1TUBB4ATUBB
SCHEMBL353633 0.78 TDP1 (0.38) AKR1B1CYP19A1NQO2MAPTKDM4E
SCHEMBL353840 0.78 BCL2 (0.48) CYP19A1PDE5ATUBB1TUBB4ATUBB
SCHEMBL2622281 0.75 AKR1B1 (0.38) PTGS2AKR1B1ACHECYP19A1NQO2
SCHEMBL353909 0.74 MEN1 (0.43) AKR1B1CYP19A1NQO2CYP3A4MAPT
SCHEMBL353813 0.73 AKR1B1 (0.51) PDE3BPDE3AAKR1B1ACHEALOX5
SCHEMBL13917719 0.72 AKR1B1 (0.40) PDE3BPDE3APTGS2AKR1B1ALOX5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163805-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-24 US disclosed
US-8163805-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-24 US disclosed
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-18 US disclosed
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-18 US disclosed
US-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS GEORGETOWN UNIVERSITY 2009-04-09 US disclosed
US-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS GEORGETOWN UNIVERSITY 2009-04-09 US disclosed
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2009-03-26 US disclosed
US-7432304-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-07 US disclosed
US-7432304-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-07 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 (3 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-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 PDE3B 3138/4885PDE3A 2682/4885PTGS2 173/4885
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS BCL2L1, BCL2, BCL2L11 PDE3B 3395/4885PDE3A 3044/4885PTGS2 282/4885
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 PDE3B 3138/4885PDE3A 2682/4885PTGS2 173/4885

“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.