SCHEMBL1344032

SCHEMBL1344032

CC(C#N)OC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
TP53 P04637 1/20 0.53
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
NPC1 O15118 3/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
F2 P00734 1/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.43

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
SCHEMBL10528301 1.00 TSHR (0.53) TSHRTP53PDCD1CD274ALDH1A1
SCHEMBL1786122 0.85 TSHR (0.57) TSHRTP53PDCD1CD274ALDH1A1
SCHEMBL14570070 0.84 TDP1 (0.50) PDCD1CD274ALDH1A1LMNANPC1
SCHEMBL6379185 0.83 TSHR (0.55) TSHRTP53PDCD1CD274ALDH1A1
SCHEMBL10430714 0.83 ALDH1A1 (0.47) TSHRALDH1A1NPC1SMN1; SMN2SCN1A
SCHEMBL21402709 0.81 TSHR (0.53) TSHRTP53PDCD1CD274ALDH1A1
SCHEMBL18027643 0.81 TSHR (0.53) TSHRTP53PDCD1CD274ALDH1A1
SCHEMBL25403607 0.81 TSHR (0.57) TSHRTP53PDCD1CD274ALDH1A1
SCHEMBL10430718 0.81 ALDH1A1 (0.55) TSHRALDH1A1LMNANPC1CYP1A2
SCHEMBL28382523 0.80 TSHR (0.52) TSHRTP53PDCD1CD274ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8062429-B2 Methods of cleaning semiconductor devices at the back end of line using amidoxime compositions EKC TECHNOLOGY, INC. (US) 2011-11-22 US disclosed
US-20100105595-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2010-04-29 US disclosed
US-20100043823-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2010-02-25 US disclosed
WO-2009085072-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC (US) 2009-07-09 WO disclosed
US-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-20090133716-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-20090130849-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. 2009-05-21 US disclosed
WO-2009058274-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058288-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058275-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058272-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058278-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC (US) 2009-05-07 WO disclosed
US-20090107520-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
EP-0688431-B1 METHOD FOR SCREENING CATALYTIC NON-ENZYME POLYPEPTIDES AND PROTEINS YEDA RES & DEV (IL) 2001-04-18 EP disclosed
US-5766861-A Method for screening catalytic non-enzyme polypeptides and proteins YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 1998-06-16 US disclosed
EP-0688431-A4 METHOD FOR SCREENING CATALYTIC NON-ENZYME POLYPEPTIDES AND PROTEINS YEDA RES & DEV (IL) 1998-03-18 EP disclosed
EP-0688431-A1 METHOD FOR SCREENING CATALYTIC NON-ENZYME POLYPEPTIDES AND PROTEINS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1995-12-27 EP disclosed
WO-1994016332-A1 METHOD FOR SCREENING CATALYTIC NON-ENZYME POLYPEPTIDES AND PROTEINS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1994-07-21 WO disclosed
EP-0334925-A1 FERROELECTRIC LIQUID CRYSTALLINE PHASES MERCK PATENT GmbH (DE) 1989-10-04 EP disclosed
WO-1989003416-A1 FERROELECTRIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-04-20 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-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS PADI2, PADI4, PADI3 TSHR 2828/4885TP53 4249/4885PDCD1 717/4885

“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.