SCHEMBL4842396

SCHEMBL4842396

Nc1ccc(Br)c2c1C(O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NR3C1 P04150 1/20 0.37
KCNH2 Q12809 1/20 0.37
UGT2B17 O75795 2/20 0.34
BRD3 Q15059 1/20 0.34
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4824033 0.85 ACHE (0.41) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL4819283 0.74 EPAS1 (0.33) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL23142099 0.71 MAP3K14 (0.39) CYP1A2UGT2B17IL1RNERAP2ERAP1
SCHEMBL23142126 0.71 MAP3K14 (0.39) CYP1A2UGT2B17IL1RNERAP2ERAP1
SCHEMBL23142120 0.71 MAP3K14 (0.39) CYP1A2UGT2B17IL1RNERAP2ERAP1
SCHEMBL24148316 0.70
SCHEMBL5750720 0.69 UGT2B17 (0.38) UGT2B17BRD3MEN1MAPTKMT2A
SCHEMBL844986 0.69 IL1RN (0.37) ACHEALDH1A1TSHRIL1RNERAP2
SCHEMBL14711738 0.69 IL1RN (0.37) ACHEALDH1A1TSHRIL1RNERAP2
SCHEMBL13616719 0.68 KMT2A (0.44) ACHEUGT2B17BRD3KMT2A

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-7435733-B2 Mineralocorticoid receptor modulator compounds and methods, and pharmaceutical compositions containing these compounds LIGAND PHARMACEUTICALS, INC. (US) 2008-10-14 US disclosed
US-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. 2007-08-09 US disclosed
WO-2006023158-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. (US) 2006-03-02 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-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS NR3C2, MC2R, NR3C1 ACHE 4093/4885ALDH1A1 3362/4885CYP1A2 884/4885

“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.