SCHEMBL555957

SCHEMBL555957

COCCOc1ccc(Br)c(CCC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HTR1A P08908 2/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A4 P31645 2/20 0.36
FFAR1 O14842 1/20 0.35
PPARG P37231 4/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC1 Q13547 1/20 0.34
BRD4 O60885 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CHEK2 O96017 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL533934 0.83 ALDH1A1 (0.42) CYP2D6PPARG
SCHEMBL533960 0.76 CYP2D6 (0.42) HTR1ACYP2D6SLC6A4PPARGBRD4
SCHEMBL27893911 0.76 MTNR1A (0.39) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL534207 0.75 SLC6A4 (0.40) HTR1ACYP2D6SLC6A4HDAC1CHEK2
SCHEMBL8257155 0.74 SLC6A4 (0.40) HTR1ACYP2D6SLC6A4BRD4CHEK2
SCHEMBL555956 0.73 PPARG (0.37) HTR1ACYP2D6SLC6A4PPARGCHEK2
SCHEMBL6987122 0.73 MEN1 (0.47) MTNR1AMTNR1BFFAR1
SCHEMBL8259521 0.72 SLC6A4 (0.41) HTR1ACYP2D6SLC6A4BRD4CHEK2
SCHEMBL533873 0.72 SLC6A4 (0.41) HTR1ACYP2D6SLC6A4BRD4CHEK2
SCHEMBL16294203 0.72 POLB (0.48) MTNR1AMTNR1BHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 MTNR1A 2293/4885MTNR1B 1285/4885HTR1A 3606/4885

“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.