SCHEMBL272030

SCHEMBL272030

CC(C)COc1cccc(CBr)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.43
FAAH O00519 1/20 0.43
BCHE P06276 2/20 0.43
TAAR1 Q96RJ0 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
GRM2 Q14416 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
MAOB P27338 1/20 0.40
KAT6A Q92794 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL322457 0.84 KDM4E (0.50) TRIM24FAAHTAAR1NR1H4MEN1
SCHEMBL320945 0.84 TAAR1 (0.51) TRIM24FAAHTAAR1NR1H4MEN1
SCHEMBL2967940 0.82 TRIM24 (0.55) TRIM24NR1H4MAPTSIRT2KAT6A
SCHEMBL4164639 0.82 HCRTR1 (0.42) BCHEMAOBTSHRMAPK1HIF1A
SCHEMBL6419825 0.82 FAAH (0.49) TRIM24FAAHTAAR1NR1H4MEN1
SCHEMBL8050867 0.82 TSHR (0.49) TRIM24FAAHTAAR1NR1H4MEN1
SCHEMBL31538932 0.82 MAOB (0.49) TRIM24FAAHTAAR1NR1H4MEN1
SCHEMBL8050864 0.82 TRIM24 (0.47) TRIM24FAAHTAAR1NR1H4GRM2
SCHEMBL20825574 0.82 MAOB (0.49) TRIM24FAAHTAAR1NR1H4MEN1
SCHEMBL327462 0.81 PPARA (0.46) TRIM24FAAHTAAR1NR1H4HIF1A

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-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
WO-2008121506-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO disclosed
WO-2003094845-A2 PYRIDINE-BASED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-20 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-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 TRIM24 3876/4885FAAH 1037/4885BCHE 148/4885

“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.