SCHEMBL2187150

SCHEMBL2187150

O=C(NC1CCCCC1[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
CPB1 P15086 2/20 0.50
CASP3 P42574 3/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSB P07858 3/20 0.48
CTSK P43235 3/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 2/20 0.48
TLR4 O00206 1/20 0.44

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
SCHEMBL6758772 0.86 ALDH1A1 (0.52) EPHX1ALDH1A1GAACPB1CASP3
SCHEMBL6612597 0.85 EPHX1 (0.63) EPHX1ALDH1A1GAACPB1CASP3
SCHEMBL9568182 0.83 CASP3 (0.50) EPHX1ALDH1A1GAACPB1CASP3
SCHEMBL4534284 0.81 MEN1 (0.44) EPHX1ALDH1A1MEN1KMT2A
SCHEMBL10007480 0.80 CASP3 (0.62) EPHX1ALDH1A1GAACPB1CASP3
SCHEMBL13326281 0.80 EPHX1 (0.58) EPHX1ALDH1A1GAACPB1CASP3
SCHEMBL18544232 0.80 EPHX1 (0.58) EPHX1ALDH1A1GAACPB1CASP3
SCHEMBL22204568 0.80 CASP3 (0.62) EPHX1ALDH1A1GAACPB1CASP3
SCHEMBL5345577 0.80 CASP3 (0.62) EPHX1ALDH1A1GAACPB1CASP3
SCHEMBL13917140 0.80 EPHX1 (0.58) EPHX1ALDH1A1GAACPB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703190-B2 Method for producing resist structures INFINEON TECHNOLOGIES AG (DE) 2004-03-09 US claimed
US-20030008240-A1 Method for producing resist structures POLARIS INNOVATIONS LIMITED (IE) 2003-01-09 US claimed
EP-1247141-A1 CREATION OF RESIST STRUCTURES Infineon Technologies AG (DE) 2002-10-09 EP claimed
WO-2001042860-A1 CREATION OF RESIST STRUCTURES INFINEON TECHNOLOGIES AG (DE) 2001-06-14 WO claimed
WO-2001042859-A1 PRODUCTION OF RESIST STRUCTURES INFINEON TECHNOLOGIES AG (DE) 2001-06-14 WO claimed
US-20110172421-A1 N-(alpha-AROMATIC GROUP-SUBSTITUTED-2-NITRO-4,5-DIALKOXYBENZYLOXYCARBONYL)AMINE COMPOUND AND PROCESS FOR PRODUCING THE SAME SHOWA DENKO K.K. (JP) 2011-07-14 US disclosed
US-7507520-B2 Composition for forming a conjugated polymer pattern and process of forming a conjugated polymer pattern using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-03-24 US disclosed
US-20040180984-A1 Composition for forming a conjugated polymer pattern and process of forming a conjugated polymer pattern using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-09-16 US disclosed
US-6703190-B2 Method for producing resist structures INFINEON TECHNOLOGIES AG (DE) 2004-03-09 US disclosed
US-20030008240-A1 Method for producing resist structures POLARIS INNOVATIONS LIMITED (IE) 2003-01-09 US disclosed
EP-1247141-A1 CREATION OF RESIST STRUCTURES Infineon Technologies AG (DE) 2002-10-09 EP disclosed
WO-2001042860-A1 CREATION OF RESIST STRUCTURES INFINEON TECHNOLOGIES AG (DE) 2001-06-14 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-20110172421-A1 N-(alpha-AROMATIC GROUP-SUBSTITUTED-2-NITRO-4,5-DIALKOXYBENZYLOXYCARBONYL)AMINE COMPOUND AND PROCESS FOR PRODUCING THE SAME NME2, DAO, NMBR EPHX1 1377/4885ALDH1A1 982/4885GAA 2370/4885

“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.