SCHEMBL1428264

SCHEMBL1428264

[CH2]c1ccc2c(c1)OC(C)([N+](=O)[O-])O2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.30

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
SCHEMBL130857 0.76 ALOX15 (0.38) CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL25192586 0.75 TSHR (0.56) CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL2298411 0.71 TLR3 (0.34) CYP1A2CYP2C9CYP2C19
SCHEMBL1098576 0.67 CTNNB1 (0.41)
SCHEMBL67998 0.66 P2RY6 (0.33)
SCHEMBL9424845 0.66 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL9427783 0.64 AKR1B1 (0.42) CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL12483210 0.61 HTT (0.44) CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL22058720 0.61 CA1 (0.46) TSHR
SCHEMBL24179080 0.61 TSHR (0.42) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1855725-A2 CYCLODEXTRIN-BASED POLYMERS CONTAINING PHOTOCLEAVABLE LINKERS FOR DRUG DELIVERY Insert Therapeutics Inc. (US) 2007-11-21 EP claimed
US-20060210527-A1 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. (US) 2006-09-21 US claimed
WO-2006089007-A2 CYCLODEXTRIN-BASED POLYMERS CONTAINING PHOTOCLEAVABLE LINKERS FOR DRUG DELIVERY INSERT THERAPEUTICS, INC. (US) 2006-08-24 WO claimed
EP-3497446-A1 METHOD AND COMPOSITION FOR DETECTION OF PEPTIDE CYCLIZATION USING PROTEIN TAGS H. Hoffnabb-La Roche Ag (CH) 2019-06-19 EP disclosed
EP-3286362-A1 METHOD AND COMPOSITION FOR PEPTIDE CYCLIZATION AND PROTEASE TREATMENT F. Hoffmann-La Roche AG (CH) 2018-02-28 EP disclosed
WO-2018033478-A1 METHOD AND COMPOSITION FOR DETECTION OF PEPTIDE CYCLIZATION USING PROTEIN TAGS F. HOFFMANN-LA ROCHE AG (CH) 2018-02-22 WO disclosed
EP-2300067-B1 DRUG DELIVERY COMPOSITION THE QUEEN'S UNIV OF BELFAST (GB) 2017-10-25 EP disclosed
CN-106456831-A Resin composition suitable for printing and printing method using the same 莱奥本矿业大学 2017-02-22 CN disclosed
US-20160136286-A1 DRUG DELIVERY COMPOSITION THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-05-19 US disclosed
US-9271928-B2 Drug delivery composition THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-03-01 US disclosed
WO-2012142480-A1 CHIMERIC RNA OLIGONUCLEOTIDES AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2012-10-18 WO disclosed
US-5874589-A Methods for synthesizing diverse collections of tetramic acids and derivatives thereof GLAXO WELLCOME, INC. (US) 1999-02-23 US disclosed
US-5846839-A Methods for hard-tagging an encoded synthetic library GLAXO GROUP LIMITED (GB) 1998-12-08 US disclosed
US-5739386-A PHOTOCLEAVABLE LINKING GROUPS IN SOLID PHASE SYNTHESIS AFFYMAX TECHNOLOGIES N.V. (GB) 1998-04-14 US disclosed
WO-1997041093-A1 METHODS FOR THE SYNTHESIS OF FMOC PROTECTED AMINES AFFYMAX TECHNOLOGIES N.V. (GB) 1997-11-06 WO disclosed
EP-0776330-A2 PHOTOLABILE COMPOUNDS AND METHODS FOR THEIR USE AFFYMAX TECHNOLOGIES N.V. (AN) 1997-06-04 EP disclosed
US-5549974-A IMMOBILIZATION AFFYMAX TECHNOLOGIES NV (AN) 1996-08-27 US disclosed
WO-1996000148-A1 METHODS FOR THE SOLID PHASE SYNTHESIS OF THIAZOLIDINONES, METATHIAZANONES, AND DERIVATIVES THEREOF AFFYMAX TECHNOLOGIES N.V. (AN) 1996-01-04 WO disclosed
WO-1996000378-A1 PHOTOLABILE COMPOUNDS AND METHODS FOR THEIR USE AFFYMAX TECHNOLOGIES N.V. (AN) 1996-01-04 WO disclosed
WO-1994010128-A1 NOVEL PHOTOREACTIVE PROTECTING GROUPS AFFYMAX TECHNOLOGIES N.V. (AN) 1994-05-11 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 (2 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-20160136286-A1 DRUG DELIVERY COMPOSITION ECPAS, ABCB11, ABCB1 CYP1A2 297/4885CYP2C9 167/4885CYP2C19 168/4885
US-20060210527-A1 Cyclodextrin-based polymers for therapeutics delivery SI, PAICS, DSC1 CYP1A2 1292/4885CYP2C9 354/4885CYP2C19 530/4885

“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.