SCHEMBL2137445

SCHEMBL2137445

Cc1ccccc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.54
NPBWR1 P48145 1/20 0.48
HSD17B10 Q99714 1/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 2/20 0.47
PDE4A P27815 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
ACHE P22303 2/20 0.44
PTPRC P08575 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
BCHE P06276 1/20 0.43
CES1 P23141 1/20 0.43
S100A4 P26447 1/20 0.43
CYP3A4 P08684 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL30532372 0.86 AKR1C3 (0.57) CYP19A1NPBWR1TSHRLMNAPDE4A
SCHEMBL5849628 0.86 AKR1C3 (0.57) CYP19A1NPBWR1TSHRLMNAPDE4A
SCHEMBL27846387 0.85 TP53 (0.50) CYP19A1TSHRALDH1A1TDP1AKR1C3
SCHEMBL5277109 0.83 CA12 (0.53) CYP19A1NPBWR1HSD17B10TSHRLMNA
Ammonia Solution, Strong SCHEMBL7244192 0.81 CA12 (0.51) CYP19A1NPBWR1HSD17B10TSHRLMNA
SCHEMBL3664745 0.81 POLB (0.50) LMNAALDH1A1MAPTMEN1POLB
SCHEMBL27452605 0.78 CYP19A1 (0.54) CYP19A1TSHRLMNAALDH1A1TDP1
SCHEMBL14565383 0.78 TSHR (0.60) CYP19A1NPBWR1HSD17B10TSHRLMNA
SCHEMBL28043433 0.78 CYP19A1 (0.54) CYP19A1NPBWR1HSD17B10TSHRLMNA
Dinitrophenylene SCHEMBL11178215 0.76 TSHR (0.74) HSD17B10TSHRLMNAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 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 (3 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR CYP19A1 199/4885NPBWR1 3819/4885HSD17B10 225/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR CYP19A1 199/4885NPBWR1 3819/4885HSD17B10 225/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR CYP19A1 199/4885NPBWR1 3819/4885HSD17B10 225/4885

“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.