SCHEMBL3124012

SCHEMBL3124012

COC(=O)c1cc(C=O)cc(OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
MAOB P27338 3/20 0.56
MAOA P21397 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
NR4A2 P43354 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMPD1 P17405 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
PTPN1 P18031 3/20 0.46

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
SCHEMBL29896397 1.00 LMNA (0.59) LMNAHPGDMAOBMAOAMEN1
SCHEMBL5552735 0.89 MRGPRX4 (0.59) LMNAHPGDMAOBMAOAMEN1
SCHEMBL391547 0.87 MEN1 (0.71) LMNAHPGDMAOBMEN1KMT2A
SCHEMBL183994 0.87 LMNA (0.70) LMNAHPGDMAOBMEN1KMT2A
SCHEMBL2806822 0.87 MEN1 (0.50) LMNAHPGDMAOBMAOAMEN1
SCHEMBL1270779 0.87 HPGD (0.53) LMNAHPGDMAOBMAOAMEN1
SCHEMBL3124651 0.86 LMNA (0.55) LMNAHPGDMAOBMEN1KMT2A
SCHEMBL3124647 0.86 LMNA (0.55) LMNAHPGDMAOBMEN1KMT2A
SCHEMBL29475634 0.83 LMNA (0.69) LMNAHPGDMAOBMEN1KMT2A
SCHEMBL29788280 0.83 LMNA (0.65) LMNAHPGDMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3705471-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE Industries, Ltd. (JP) 2020-09-09 EP disclosed
CN-111542511-A Double-headed inhibitors of proteolytic enzymes 宇部兴产株式会社 2020-08-14 CN disclosed
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
WO-1997027183-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 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 LMNA 2244/4885HPGD 452/4885MAOB 1213/4885

“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.