SCHEMBL4581684

SCHEMBL4581684

COc1cc(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.53
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44

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
SCHEMBL4579921 0.92 HSP90AA1 (0.56) HSP90AA1KDM4EALDH1A1LMNAPOLB
SCHEMBL4579386 0.89 HSP90AA1 (0.53) HSP90AA1KDM4EALDH1A1LMNAPOLB
SCHEMBL4581221 0.85 HSP90AA1 (0.56) HSP90AA1
SCHEMBL4582836 0.85 MAPK9 (0.48) HSP90AA1
SCHEMBL4581632 0.84 HSP90B1 (0.44) HSP90AA1KDM4EALDH1A1
SCHEMBL4579731 0.82 HSP90AA1 (0.61) HSP90AA1
SCHEMBL20117828 0.82 HSP90AA1 (0.54) HSP90AA1
SCHEMBL4581687 0.81 HSP90AA1 (0.48) HSP90AA1
SCHEMBL4580582 0.80 HSP90AA1 (0.63) HSP90AA1
SCHEMBL4581752 0.79 HSP90AA1 (0.60) HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 HSP90AA1 3426/4885KDM4E 1246/4885ALDH1A1 767/4885

“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.