SCHEMBL4082901

SCHEMBL4082901

[O]c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AXL P30530 1/20 0.39
NFKB1 P19838 1/20 0.39
KIF11 P52732 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PARP1 P09874 1/20 0.38
P2RX7 Q99572 1/20 0.38
IDO1 P14902 2/20 0.37

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
SCHEMBL3751767 0.85 SLC22A12 (0.41) CES1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL16797132 0.83 TYK2 (0.41) CES1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL18242043 0.78 CES1 (0.35) CES1KDM4ESMN1; SMN2HSD17B10
SCHEMBL14932033 0.76 HSD11B1 (0.41) CES1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL187641 0.74 NFKB1 (0.47) LMNAGAAALDH1A1POLBTDP1
SCHEMBL18243901 0.74 CES1 (0.33) CES1
SCHEMBL2051652 0.74 MPL (0.43) CES1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL29441997 0.74 ALDH1A1 (0.52) LMNAGAAALDH1A1POLBTDP1
SCHEMBL63469 0.74 ALDH1A1 (0.52) LMNAGAAALDH1A1POLBTDP1
SCHEMBL7601747 0.73 MPL (0.46) CES1ALDH1A1POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-10124326-B2 Modified solid polyalkylaluminoxane and catalyst for olefin oligomerization reaction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-11-13 US disclosed
US-20170225155-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIOGOMERIZATION REACTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-10 US disclosed
EP-3202822-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIGOMERIZATION REACTION Sumitomo Chemical Company Limited (JP) 2017-08-09 EP disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-2048167-A2 First catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048170-A2 Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048168-A2 Process for producing catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048169-A2 Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
US-6495548-B1 SUCH AS 3-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-N-HYDROXY-1-(4-((2-METHYL-4 -QUINOLINYL)METHOXY)PHENYL)-2-OXO-3-PYRROLIDINE ACETAMIDE; PREVENTING UNCONTROLLED BREAKDOWN OF CONNECTIVE TISSUE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
US-6455522-B1 ANTIINFLAMMATORY AGENTS; AGGRECANASE AND TUMOR NECROSIS FACTOR INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
EP-1165546-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-ALPHA, AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed
WO-2000059285-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP 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-20170225155-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIOGOMERIZATION REACTION OGFR, GFER, ITGB7 CES1 3032/4885KDM4E 2260/4885SMN1; SMN2 3212/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CES1 1075/4885KDM4E 4342/4885SMN1; SMN2 3268/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CES1 1075/4885KDM4E 4342/4885SMN1; SMN2 3268/4885
US-10124326-B2 Modified solid polyalkylaluminoxane and catalyst for olefin oligomerization reaction GFER, OGFR, TECR CES1 2930/4885KDM4E 2372/4885SMN1; SMN2 3545/4885

“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.