SCHEMBL3748732

SCHEMBL3748732

O=C(O)COC(=O)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 1.00
ALDH1A1 P00352 2/20 0.68
MAPK1 P28482 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
KMT2A Q03164 2/20 0.60
AKR1B1 P15121 1/20 0.58
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.49
KLK7 P49862 1/20 0.49
MGLL Q99685 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL5999038 0.88 PAM (0.78) PAMALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL3673828 0.84 PAM (0.72) PAMALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL4947133 0.84 PAM (0.72) PAMALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL4947139 0.84 PAM (0.72) PAMALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL1434644 0.83 ALDH1A1 (0.73) PAMALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL10525631 0.82 ALDH1A1 (0.85) PAMALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL6988546 0.82 PAM (0.70) PAMALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL7716471 0.82 KMT2A (0.79) PAMALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL30952004 0.81 PAM (0.68) PAMALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL27338367 0.81 PAM (0.68) PAMALDH1A1MAPK1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207972-A1 Propylene polymer catalyst donor component INEOS USA LLC 2008-08-28 US claimed
EP-1863855-A2 PROPYLENE POLYMER CATALYST DONOR COMPONENT INEOS USA LLC (US) 2007-12-12 EP claimed
US-20070179047-A1 Propylene polymer catalyst donor component INNOVENE USA (US) 2007-08-02 US claimed
WO-2006096621-A2 PROPYLENE POLYMER CATALYST DONOR COMPONENT INNOVENE USA LLC (US) 2006-09-14 WO claimed
US-5643949-A Phenyl alpha acyloxyalkanoic acids, derivatives and their therapeutic use TRISTRATA, INC. (US) 1997-07-01 US claimed
US-20140058129-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8586782-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-11-19 US disclosed
US-8362294-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20130012585-A1 Phenylacetic Acid Derivatives MONOVICH LAUREN G (US) 2013-01-10 US disclosed
EP-2046723-B1 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2012-07-18 EP disclosed
US-7674943-B2 Solid, hydrocarbon-insoluble, catalyst component containing magnesium, titanium, and halogen, and further contains an internal electron donor which does not contain a phthalate derivative, for example, ethyl (phenylacetoxy)acetate; stereospecific polymerization; highly crystalline propylene polymers INEOS USA LLC (US) 2010-03-09 US disclosed
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
US-20070179047-A1 Propylene polymer catalyst donor component INNOVENE USA (US) 2007-08-02 US disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
WO-2006096621-A2 PROPYLENE POLYMER CATALYST DONOR COMPONENT INNOVENE USA LLC (US) 2006-09-14 WO disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 WO disclosed
EP-0738706-A1 Nitric esters of 2-(2,6-dihalophenylamino) phenylacetoxyacetic acid derivatives and their preparation process PRODES, S.A. (ES) 1996-10-23 EP disclosed
US-5258391-A Phenyl alpha acyloxyalkanoic acids, derivatives and their therapeutic use TRISTRATA, INC. 1993-11-02 US 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 (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-20140058129-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 PAM 2290/4885ALDH1A1 37/4885MAPK1 2327/4885
US-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 PAM 1773/4885ALDH1A1 99/4885MAPK1 1188/4885
US-20130012585-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 PAM 2290/4885ALDH1A1 37/4885MAPK1 2327/4885
US-20080207972-A1 Propylene polymer catalyst donor component RAD52, NR2C2, PGR PAM 1033/4885ALDH1A1 4642/4885MAPK1 1864/4885

“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.