SCHEMBL8695353

SCHEMBL8695353

Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.75
ACHE P22303 1/20 0.75
HSPB1 P04792 2/20 0.66
HTT P42858 2/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
MAPK1 P28482 4/20 0.56
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MYOC Q99972 1/20 0.56
ALDH1A1 P00352 5/20 0.54
SRD5A2 P31213 1/20 0.54
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MITF O75030 1/20 0.50
CCR6 P51684 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.89 HSPB1 (0.79) HSD17B10ACHEHSPB1HTTKMT2A
SCHEMBL11689190 0.89 HSPB1 (0.79) HSD17B10ACHEHSPB1HTTKMT2A
SCHEMBL2011179 0.89 HSPB1 (0.79) HSD17B10ACHEHSPB1HTTKMT2A
SCHEMBL9183872 0.89 HSPB1 (0.79) HSD17B10ACHEHSPB1HTTKMT2A
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.87 HSPB1 (0.76) HSPB1HTTKMT2AMEN1MAPK1
4-Nitrotoluene SCHEMBL2484690 0.87 ACHE (1.00) HSD17B10ACHEKMT2AMAPK1MAPT
4-Nitrotoluene SCHEMBL73252 0.87 ACHE (1.00) HSD17B10ACHEKMT2AMAPK1MAPT
SCHEMBL1323759 0.86 HSPB1 (0.59) HSD17B10ACHEHSPB1HTTKMT2A
4-Nitrotoluene SCHEMBL28077886 0.84 ALDH1A1 (0.60) HSD17B10ACHEHSPB1HTTKMT2A
4-Nitrotoluene SCHEMBL9402408 0.84 ACHE (0.95) HSD17B10ACHEKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707816-A Pyrazole hydrazide derivative containing diphenyl ether unit as well as preparation method and application thereof 江苏海洋大学 2025-03-28 CN disclosed
CN-118359503-A Synthesis method of copper-catalyzed diaryl ether promoted by visible light 新疆大学 2024-07-19 CN disclosed
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
WO-2017139689-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 WO disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
US-9365513-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2016-06-14 US disclosed
US-9365513-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2016-06-14 US disclosed
US-9196843-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2015-11-24 US disclosed
US-9196843-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2015-11-24 US disclosed
US-9096528-B2 2-aminonicotinic acid ester derivative and bactericide containing same as active ingredient AGRO-KANESHO CO., LTD. (JP) 2015-08-04 US disclosed
US-5750789-A FROM CORRESPONDING DIAMINE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-05-12 US disclosed
US-5498687-A Unsaturated imide compounds containing alicyclic structure, process for producing the same and intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-03-12 US disclosed
US-5444165-A Reacting diamino compound with unsaturated dicarboxylic anhydride to form amic acid intermediate, catalytic dehydration-ring closing; solvent soluble, low water absorption and flexibility SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-08-22 US disclosed
US-5326881-A Polymers with good heat resistance, good flexibility and low water absorption SUMITOMO CHEMICAL COMPANY LTD. (JP) 1994-07-05 US disclosed
EP-0595230-A1 Unsaturated imide compounds containing alicyclic structure SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-05-04 EP disclosed
US-5132423-A Nucleophilic substitution reaction of alkali hydroxy- or mercaptoaromatic compound and heterocyclic substituted imide GENERAL ELECTRIC COMPANY (US) 1992-07-21 US disclosed
US-5116975-A Bis(guanidinium)alkane salts as phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 1992-05-26 US disclosed
US-5081298-A Bis(pentaalkylguanidinium) alkane salts as phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 1992-01-14 US disclosed
US-4329365-A DIPHENYL ETHERS BURROUGHS WELLCOME CO. (US) 1982-05-11 US disclosed
US-4042603-A SUBSTITUTED DIBENZOFURAN OR 9-FLUORENONE FROM A DIPHENYL ETHER OR BENZOPHENONE UBE INDUSTRIES, LTD. (JA) 1977-08-16 US 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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 HSD17B10 1249/4885ACHE 4733/4885HSPB1 2098/4885

“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.