SCHEMBL4378038

SCHEMBL4378038

Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.56
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 1/20 0.47
TBXA2R P21731 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MLNR O43193 1/20 0.46
MMP1 P03956 1/20 0.46

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
SCHEMBL7632959 0.87 HSPB1 (0.66) HSPB1MEN1KMT2ARXFP1HTT
SCHEMBL1979596 0.87 HSPB1 (0.53) HSPB1MEN1KMT2ARXFP1HTT
SCHEMBL5082634 0.83 ALDH1A1 (0.66) HSPB1MEN1KMT2ARXFP1HTT
SCHEMBL9087468 0.82 HSPB1 (0.59) HSPB1MEN1KMT2ARXFP1HTT
SCHEMBL22966296 0.81 TBXA2R (0.56) HSPB1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7690257 0.81 ALDH1A1 (0.59) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL28337651 0.81 MEN1 (0.54) HSPB1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL6420032 0.81 HSPB1 (0.68) HSPB1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL15869609 0.81 MAPT (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL31448160 0.81 HSPB1 (0.53) HSPB1MEN1KMT2ARXFP1HTT

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
EP-2065357-B1 Improved process for the catalytic synthesis of diaryl ethers SALTIGO GMBH (DE) 2014-04-23 EP disclosed
US-8304550-B2 Process for the catalytic synthesis of diaryl ethers SALTIGO GMBH (DE) 2012-11-06 US disclosed
US-8304550-B2 Process for the catalytic synthesis of diaryl ethers SALTIGO GMBH (DE) 2012-11-06 US disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
US-20090143594-A1 PROCESS FOR THE CATALYTIC SYNTHESIS OF DIARYL ETHERS SALTIGO GMBH (DE) 2009-06-04 US disclosed
US-20090143594-A1 PROCESS FOR THE CATALYTIC SYNTHESIS OF DIARYL ETHERS SALTIGO GMBH (DE) 2009-06-04 US disclosed
EP-2065357-A1 Improved process for the catalytic synthesis of diaryl ethers Saltigo GmbH (DE) 2009-06-03 EP disclosed
EP-2065356-A1 Improved process for the catalytic synthesis of diaryl ethers Saltigo GmbH (DE) 2009-06-03 EP disclosed
US-5750789-A FROM CORRESPONDING DIAMINE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-05-12 US disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP 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-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 EP disclosed
US-4533777-A HALOALKYLATION OF A BENZENE RING USING CARBON TETRACHLORIDE AND HYDROFLUORIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1985-08-06 US disclosed
EP-0008453-B1 PROCESS FOR PREPARING TRIFLUOROMETHYL AROMATIC COMPOUNDS BAYER AG (DE) 1981-04-29 EP disclosed
EP-0008453-A1 Process for preparing trifluoromethyl aromatic compounds BAYER AG (DE) 1980-03-05 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 (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-20090143594-A1 PROCESS FOR THE CATALYTIC SYNTHESIS OF DIARYL ETHERS ARSA, AHR, AOC2 HSPB1 3379/4885MEN1 2795/4885KMT2A 426/4885

“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.