SCHEMBL555956

SCHEMBL555956

COCCOc1ccc(Br)c(CC(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.37
PPARD Q03181 5/20 0.37
PPARA Q07869 3/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ACACB O00763 1/20 0.35
HTR1A P08908 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A4 P31645 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CHEK2 O96017 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 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
SCHEMBL533933 0.80 PPARG (0.59) PPARGPPARDPPARAPTGESALOX5
SCHEMBL8257155 0.74 SLC6A4 (0.40) KDM4EHTR1ACYP2D6SLC6A4SMN1; SMN2
SCHEMBL555958 0.74 KDM4E (0.36) PPARGPPARDPPARAKDM4EACACB
SCHEMBL555957 0.73 MTNR1A (0.38) PPARGHTR1ACYP2D6SLC6A4SMN1; SMN2
SCHEMBL8259521 0.72 SLC6A4 (0.41) KDM4EHTR1ACYP2D6SLC6A4TDP1
SCHEMBL533873 0.72 SLC6A4 (0.41) KDM4EHTR1ACYP2D6SLC6A4TDP1
SCHEMBL533960 0.70 CYP2D6 (0.42) PPARGKDM4EHTR1ACYP2D6SLC6A4
SCHEMBL534207 0.70 SLC6A4 (0.40) KDM4EHTR1ACYP2D6SLC6A4SMN1; SMN2
SCHEMBL2134422 0.69 PPARG (0.40) PPARGPPARAPTGESALOX5KDM4E
SCHEMBL15957231 0.68 ITGB3 (0.47) PPARGKDM4ECYP2D6TDP1ALDH1A1

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 PPARG 1244/4885PPARD 420/4885PPARA 1101/4885

“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.