SCHEMBL4580025

SCHEMBL4580025

CCC1=C2CCCCC2N(c2ccc(C#N)c(NC3CCC(O)CC3)c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.38
AR P10275 9/20 0.37
PRKCD Q05655 7/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 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
SCHEMBL14252192 0.91 PRKCQ (0.38) PRKCQARPRKCD
SCHEMBL4580091 0.91 PRKCQ (0.38) PRKCQARPRKCD
SCHEMBL14252193 0.89 PRKCQ (0.39) PRKCQARPRKCD
SCHEMBL4582527 0.89 PRKCQ (0.39) PRKCQARPRKCD
SCHEMBL14252188 0.85 AR (0.34) PRKCQAR
SCHEMBL4582876 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL4581779 0.80 AR (0.38) AR
SCHEMBL4581959 0.76 ELANE (0.37)
SCHEMBL14252102 0.76 HSP90B1 (0.45) HSP90AA1HSP90AB1
SCHEMBL4579769 0.76 HSP90B1 (0.45) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 PRKCQ 4456/4885AR 1225/4885PRKCD 4820/4885

“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.