SCHEMBL3133734

SCHEMBL3133734

COC=Cc1cc(OCc2ccccc2)cc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
NR4A2 P43354 3/20 0.55
AKR1C3 P42330 2/20 0.53
AKR1C2 P52895 2/20 0.53
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP19A1 P11511 1/20 0.51
SRD5A2 P31213 2/20 0.49
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAOB P27338 3/20 0.49
P2RY14 Q15391 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL3133731 1.00 MEN1 (0.65) MEN1KMT2ANR4A2AKR1C3AKR1C2
SCHEMBL3124651 0.90 LMNA (0.55) MEN1KMT2ANR4A2AKR1C3AKR1C2
SCHEMBL3124647 0.90 LMNA (0.55) MEN1KMT2ANR4A2AKR1C3AKR1C2
SCHEMBL862870 0.80 MEN1 (0.93) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL1426961 0.80 MEN1 (1.00) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL340452 0.79 MEN1 (0.84) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL29788233 0.79 MEN1 (0.84) MEN1KMT2ANR4A2NR4A1NR4A3
Hydrochloric Acid SCHEMBL6841086 0.79 MEN1 (0.96) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL3129603 0.77 MEN1 (0.74) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL7358147 0.76 MEN1 (0.79) MEN1KMT2ANR4A2NR4A1NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076359-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-12-13 US disclosed
EP-2097377-B1 RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2010-07-07 EP disclosed
US-20100063091-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-03-11 US disclosed
EP-2097377-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-09-09 EP disclosed
WO-2008058387-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-05-22 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-20100063091-A1 RENIN INHIBITORS REN, ACE, AGTR1 MEN1 4335/4885KMT2A 4313/4885NR4A2 1379/4885

“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.