SCHEMBL1428895

SCHEMBL1428895

O=[N+]([O-])[C](c1ccccc1[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
CTSD P07339 1/20 0.56
GPR35 Q9HC97 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ALPL P05186 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NCOA1 Q15788 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL4078013 0.82 ALDH1A1 (0.64) ALDH1A1CTSDGPR35CYP1A2CYP3A4
SCHEMBL20987678 0.81 ALDH1A1 (0.63) ALDH1A1CTSDGPR35CYP1A2CYP3A4
SCHEMBL975117 0.80 ALDH1A1 (0.68) ALDH1A1CTSDGPR35CYP1A2CYP3A4
SCHEMBL10613860 0.80 ALDH1A1 (0.68) ALDH1A1CTSDGPR35CYP1A2CYP3A4
SCHEMBL7424787 0.79 ALDH1A1 (0.56) ALDH1A1CTSDGPR35CYP1A2CYP3A4
SCHEMBL30727560 0.78 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL29696138 0.78 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL8592467 0.78 ALDH1A1 (0.60) ALDH1A1CTSDGPR35CYP1A2CYP3A4
SCHEMBL436389 0.78 ALDH1A1 (0.66) ALDH1A1CTSDGPR35CYP1A2CYP3A4
SCHEMBL78205 0.78 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108140452-B Anisotropic conductive film and display device using the same 国都化学株式会社 2020-02-18 CN claimed
US-9390831-B2 Electronic device using anisotropic conductive composition and film CHEIL INDUSTRIES INC. (KR) 2016-07-12 US claimed
US-20160136286-A1 DRUG DELIVERY COMPOSITION THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-05-19 US claimed
US-8766443-B2 Anisotropic conductive film composition, anisotropic conductive film, and semiconductor device bonded by the same CHEIL INDUSTRIES, INC. (KR) 2014-07-01 US claimed
US-20130154093-A1 ANISOTROPIC CONDUCTIVE FILM COMPOSITION, ANISOTROPIC CONDUCTIVE FILM, AND SEMICONDUCTOR DEVICE BONDED BY THE SAME KUKDO CHEMICAL CO., LTD. (KR) 2013-06-20 US claimed
US-20130126788-A1 Electronic device using anisotropic conductive composition and film KUKDO CHEMICAL CO., LTD. (KR) 2013-05-23 US claimed
US-20110165114-A1 DRUG DELIVERY COMPOSITION QUEEN'S UNIVERSITY OF BELFAST, THE (GB) 2011-07-07 US claimed
EP-2300067-A2 DRUG DELIVERY COMPOSITION The Queen's University of Belfast (GB) 2011-03-30 EP claimed
WO-2009147372-A2 DRUG DELIVERY COMPOSITION THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-12-10 WO claimed
US-20070059211-A1 TNT sensor containing molecularly imprinted sol gel-derived films THE COLLEGE OF WOOSTER (US) 2007-03-15 US claimed
US-5359017-A Using an organoiron compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-10-25 US claimed
EP-0511405-A1 CATIONICALLY POLYMERIZABLE ORGANIC MATERIAL COMPOSITION AND STABILIZATION OF SAID COMPOSITION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-11-04 EP claimed
JP-3237107-A None JP disclosed
CN-117024534-A Supermolecular high affinity protein binding system for purifying biological macromolecules 约翰霍普金斯大学 2023-11-10 CN disclosed
CN-116710130-A Protein 2 antibodies containing motile sperm domains and methods of use thereof 脉管生物生长有限公司 2023-09-05 CN disclosed
CN-110741017-B Supermolecular high affinity protein binding system for purifying biological macromolecules 约翰霍普金斯大学 2023-08-29 CN disclosed
JP-H03237107-A CATIONIC POLYMERIZATION INITIATOR AND POLYMERIZABLE COMPOSITION SANSHIN CHEM IND CO LTD 1991-10-23 JP disclosed
EP-0295248-A1 LIPOSOME PREPARATION AND ANTIBIOTIC. LIPOSOME CO INC (US) 1988-12-21 EP disclosed
EP-0295248-A4 LIPOSOME PREPARATION AND ANTIBIOTIC. LIPOSOME CO INC (US) 1988-12-19 EP disclosed
WO-1988004573-A1 LIPOSOME PREPARATION AND ANTIBIOTIC THE LIPOSOME COMPANY, INC. (US) 1988-06-30 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-20110165114-A1 DRUG DELIVERY COMPOSITION ECPAS, ABCB11, ABCB1 ALDH1A1 1965/4885CTSD 4137/4885GPR35 1850/4885
US-20160136286-A1 DRUG DELIVERY COMPOSITION ECPAS, ABCB11, ABCB1 ALDH1A1 1965/4885CTSD 4137/4885GPR35 1850/4885

“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.