SCHEMBL2622258

SCHEMBL2622258

COc1c(OC)c2c3c(c(-c4c(C)cc5c(C(C)C)c(CO)c(CO)c6c5c4OC6OC)c(C)cc3c1C(C)C)OC2OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 7/20 0.49
▸ PDE5A O76074 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ PDE3A Q14432 1/20 0.31

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
(-)-Gossypol Hexamethyl Ether SCHEMBL2622262 0.90 AKR1B1 (0.55) AKR1B1PDE3BPDE3A
SCHEMBL2622244 0.87 AKR1B1 (0.54) AKR1B1
SCHEMBL10268835 0.82 AKR1B1 (0.51) AKR1B1
SCHEMBL22700467 0.80 AKR1B1 (0.70) AKR1B1
SCHEMBL2622254 0.76 AKR1B1 (0.46) AKR1B1
SCHEMBL2622263 0.66 AKR1B1 (1.00) AKR1B1
SCHEMBL2622259 0.64 AKR1B1 (1.00) AKR1B1PDE3BPDE3A
SCHEMBL2622268 0.63 AKR1B1 (0.60) AKR1B1
SCHEMBL22700465 0.62 AKR1B1 (0.47) AKR1B1
SCHEMBL2622242 0.62 AKR1B1 (0.39) AKR1B1

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 2 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-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS GEORGETOWN UNIVERSITY 2009-04-09 — — 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-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 AKR1B1 1880/4885PDE5A 2647/4885PDE4A 3375/4885

“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.

Send feedback