SCHEMBL3399463

SCHEMBL3399463

O=[C]c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.67
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
PTGS1 P23219 1/20 0.62
SLC6A2 P23975 1/20 0.62
CYP2C19 P33261 1/20 0.62
PTGS2 P35354 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HIF1A Q16665 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
MAOA P21397 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
BCHE P06276 1/20 0.56

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
SCHEMBL3080310 0.94 MAOB (0.61) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL6213004 0.92 APP (0.60) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL27367676 0.85 LMNA (0.82) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL339813 0.85 LMNA (0.82) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL28185132 0.85 MEN1 (0.59) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL14786201 0.83 MAOB (0.71) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL14786200 0.83 MAOB (0.71) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL6957200 0.83 MAOB (0.47) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL2641399 0.82 LMNA (0.60) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL6209659 0.82 MAOB (0.57) MAOBMAOANR4A2BCHEGSTP1

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598425-B2 Method for preparing Ibrutinib SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-03-21 US claimed
US-20160264584-A1 Method for Preparing Ibrutinib SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2016-09-15 US claimed
US-9249116-B2 Enzyme-activating compounds and compositions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-02-02 US claimed
US-20150210659-A1 PARTICULATE DRUG DELIVERY METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-07-30 US claimed
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US claimed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 US claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO claimed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP claimed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US claimed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO claimed
EP-0598756-B1 ESTER COMPOSITION SHELL INT RESEARCH (NL) 1996-06-05 EP claimed
US-4483861-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-20 US claimed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20160264584-A1 Method for Preparing Ibrutinib BTK, PIM1, PIM2 MAOB 2004/4885LMNA 2499/4885CYP1A2 817/4885
US-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ MAOB 3413/4885LMNA 3318/4885CYP1A2 3071/4885
US-20150210659-A1 PARTICULATE DRUG DELIVERY METHODS CASP3, BAX, CASP5 MAOB 1592/4885LMNA 1013/4885CYP1A2 2681/4885
US-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL MAOB 1120/4885LMNA 2624/4885CYP1A2 3203/4885

“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.