SCHEMBL1343373

SCHEMBL1343373

COc1cc(OC)c(OC)cc1C#N

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
AR P10275 13/20 0.52
IMPDH2 P12268 2/20 0.50
IMPDH1 P20839 1/20 0.50
PGR P06401 1/20 0.47
HTR2A P28223 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL2761994 0.95 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL4258349 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL1039728 0.84 AR (0.54) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL22149607 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL9367307 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL3425063 0.82 KDM4E (0.48) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL8777864 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL10541124 0.81 AR (0.47) ALDH1A1KDM4EUSP2ARIMPDH2
Hydrochloric Acid SCHEMBL11411334 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2ARIMPDH2
SCHEMBL7980232 0.79 KDM4E (0.46) ALDH1A1KDM4EUSP2ARIMPDH2

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 19 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
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-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
WO-2009058288-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES 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-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (3 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 ALDH1A1 2989/4885KDM4E 1050/4885USP2 3459/4885
US-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS PADI2, PADI4, PADI3 ALDH1A1 3030/4885KDM4E 2497/4885USP2 250/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KDM4E 1058/4885USP2 2242/4885

“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.