SCHEMBL533965

SCHEMBL533965

CC(C)OCC(F)(F)COCc1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MAOB P27338 4/20 0.33
APP P05067 1/20 0.33
MAOA P21397 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10264145 0.86 ALDH1A1 (0.37) ALDH1A1LMNAMAPTADRB2ADRB1
SCHEMBL10202421 0.83 APP (0.39) IDO1ALDH1A1LMNAMAPTAPP
SCHEMBL533909 0.82 IDO1 (0.41) IDO1ALDH1A1LMNAMAPTMAOB
SCHEMBL534894 0.77 ALDH1A1 (0.44) IDO1ALDH1A1MAPTMAOBAPP
SCHEMBL534037 0.76 ADRB2 (0.50) IDO1ALDH1A1LMNAADRB2ADRB1
SCHEMBL23454355 0.76 ALDH1A1 (0.58) IDO1ALDH1A1MAPTMAOBAPP
SCHEMBL6948228 0.76 KDM4E (0.37) IDO1ALDH1A1LMNAMEN1KMT2A
SCHEMBL4686836 0.75 IDO1 (0.52) IDO1ALDH1A1LMNAMAOBAPP
SCHEMBL533927 0.75 IDO1 (0.39) IDO1ALDH1A1MAOBAPPMAOA
SCHEMBL9366824 0.72 IDO1 (0.48) IDO1ALDH1A1MAPTMAOBAPP

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 IDO1 3324/4885ALDH1A1 900/4885LMNA 1880/4885

“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.