SCHEMBL4580485

SCHEMBL4580485

COCCOc1cc(N2C(=O)C(CCO)=C3CCCCC32)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.41
NR3C2 P08235 3/20 0.35
AKR1C3 P42330 1/20 0.34
FGFR4 P22455 3/20 0.34
HTR2C P28335 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL4579414 0.85 PARP10 (0.38) NR3C2HTR2CHCRTR1HCRTR2
SCHEMBL4581078 0.81 AR (0.35) ARNR3C2
SCHEMBL4582795 0.77 ALDH1A1 (0.43) AR
SCHEMBL4580904 0.77 CYP19A1 (0.36) NR3C2
SCHEMBL14252188 0.76 AR (0.34) AR
SCHEMBL4580705 0.76 CYP11B2 (0.43) AR
SCHEMBL4579335 0.75 ABCC9 (0.34) AR
SCHEMBL4580091 0.74 PRKCQ (0.38) AR
SCHEMBL4581779 0.74 AR (0.38) AR
SCHEMBL4579589 0.70 PARP10 (0.35)

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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US 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

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 AR 1225/4885NR3C2 1577/4885AKR1C3 401/4885

“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.