SCHEMBL4489945

SCHEMBL4489945

COC(=O)Cn1cncc1CO

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.48
CYP11B2 P19099 9/20 0.48
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL25311885 0.87 CYP11B1 (0.48) CYP11B1CYP11B2SMN1; SMN2GAAKMT2A
SCHEMBL3275833 0.79 CYP11B1 (0.43) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL10926533 0.77 NPSR1 (0.43) CYP11B1CYP11B2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3978876 0.77 CYP11B1 (0.41) CYP11B1CYP11B2SMN1; SMN2GAAKMT2A
SCHEMBL7981213 0.76 CYP11B1 (0.73) CYP11B1CYP11B2
SCHEMBL3978013 0.75 CYP11B1 (0.41) CYP11B1CYP11B2SMN1; SMN2GAAKMT2A
SCHEMBL31332849 0.75 CYP11B1 (0.44) CYP11B1CYP11B2
SCHEMBL27782413 0.73 CYP11B1 (0.40) CYP11B1CYP11B2
SCHEMBL5657526 0.72 CYP11B1 (0.42) CYP11B1CYP11B2KMT2A
SCHEMBL859620 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 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-20090264420-A1 ORGANIC COMPOUNDS CYP17A1, CYP11B1, CYP46A1 CYP11B1 2/4885CYP11B2 11/4885SMN1; SMN2 4550/4885

“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.